{"dcterms:modified":"2024-09-02","dcterms:creator":"ARP","@type":"ore:ResourceMap","schema:additionalType":"Dataverse OREMap Format v1.0.0","dvcore:generatedBy":{"@type":"schema:SoftwareApplication","schema:name":"Dataverse","schema:version":"6.1 build arp-prod-8cdf080142","schema:url":"https://github.com/iqss/dataverse"},"@id":"https://repo.researchdata.hu/api/datasets/export?exporter=OAI_ORE&persistentId=https://hdl.handle.net/21.15109/CONCORDA/VF4I94","ore:describes":{"keyword":[{"keywordValue":"Optimized molecular geometries"},{"keywordValue":"Optimized molecular energies"},{"keywordValue":"Schemes on the synthesis of the ligands"},{"keywordValue":"NMR spectra","keywordVocabulary":"Nuclear Magnetic Resonance spectra"},{"keywordValue":"Mössbauer spectra"},{"keywordValue":"Cyclic Voltammetry"}],"author":[{"authorName":"Papp, Mariann","authorAffiliation":"Wigner Research Centre for Physics","authorIdentifierScheme":"ORCID","authorIdentifier":"0000-0003-4553-5167"},{"authorName":"Keszthelyi, Tamás","authorAffiliation":"Wigner Research Centre for Physics","authorIdentifierScheme":"ORCID","authorIdentifier":"0000-0002-4223-6594"},{"authorName":"Vancza, Andor","authorAffiliation":"Wigner Research Centre for Physics","authorIdentifierScheme":"ORCID","authorIdentifier":"0000-0001-8449-0796"},{"authorName":"Bajnóczi, G. Éva","authorAffiliation":"Wigner Research Centre for Physics","authorIdentifierScheme":"ORCID","authorIdentifier":"0000-0002-8469-5887"},{"authorName":"Kováts, Éva","authorAffiliation":"Wigner Research Centre for Physics","authorIdentifierScheme":"ORCID","authorIdentifier":"0000-0002-8358-857X"},{"authorName":"Németh, Zoltán","authorAffiliation":"Wigner Research Centre for Physics","authorIdentifierScheme":"ORCID","authorIdentifier":"0000-0002-4399-1890"},{"authorName":"Bogdán, Csilla","authorAffiliation":"Wigner Research Centre for Physics"},{"authorName":"Bazsó, Gábor","authorAffiliation":"Wigner Research Centre for Physics"},{"authorName":"Rozgonyi, Tamás","authorAffiliation":"Wigner Research Centre for Physics","authorIdentifierScheme":"ORCID","authorIdentifier":"0000-0001-9519-7739"},{"authorName":"Vankó, György","authorAffiliation":"Wigner Research Centre for Physics","authorIdentifierScheme":"ORCID","authorIdentifier":"0000-0002-3095-6551"}],"publication":[{"publicationCitation":"@article{doi:10.1021/acs.inorgchem.3c00271,\nauthor = {Papp, Mariann and Keszthelyi, Tamás and Vancza, Andor and Bajnóczi, Éva G. and Kováts, Éva and Németh, Zoltán and Bogdán, Csilla and Bazsó, Gábor and Rozgonyi, Tamás and Vankó, György},\ntitle = {Molecular Engineering to Tune Functionality: The Case of Cl-Substituted [Fe(terpy)2]2+},\njournal = {Inorganic Chemistry},\nvolume = {62},\nnumber = {16},\npages = {6397-6410},\nyear = {2023},\ndoi = {10.1021/acs.inorgchem.3c00271},\n    note ={PMID: 37039430},\neprint = { \n        https://doi.org/10.1021/acs.inorgchem.3c00271    \n             }\n}","publicationIDType":"doi","publicationIDNumber":"10.1021/acs.inorgchem.3c00271","publicationURL":"https://doi.org/10.1021/acs.inorgchem.3c00271"},{"publicationCitation":"<br>\nPapp M, Keszthelyi T, Vancza A, Bajnóczi ÉG, Kováts É, Németh Z, et al. Molecular engineering to tune functionality: the case of Cl substituted [Fe(terpy)2]2 . ChemRxiv. Cambridge: Cambridge Open Engage; 2022; This content is a preprint and has not been peer-reviewed.","publicationIDType":"doi","publicationIDNumber":"10.26434/chemrxiv-2022-4645x","publicationURL":"https://chemrxiv.org/engage/chemrxiv/article-details/638ddfb414d92d318ba19ce0"}],"datasetContact":{"datasetContactName":"Buzsaki, Daniel","datasetContactAffiliation":"Wigner Research Centre for Physics","datasetContactEmail":"buzsaki.daniel@wigner.hu"},"dsDescription":{"dsDescriptionValue":"The properties of transition-metal complexes and their chemical dynamics can be effectively modified with ligand substitutions, and theory can be a great aid to such molecular engineering. In this paper, we first theoretically explored how substitution with a Cl atom at different positions of the terpyridine ligand affects the electronic structure of the [Fe(terpy)<sub>2</sub>]<sup>2+</sup> complex. We found that besides the substitution at position 4′, the next most promising candidate to cause substantial electronic effects is that where the side pyridine ring is substituted at position 5 (β). Therefore, next, we examined in detail the Fe(II) complexes of the 5-chloro and 5,5″-dichloro derivatives of terpy, theoretically and experimentally, to reveal how these substitutions modify the ground state properties and the lifetime of the excited quintet state in such complexes. In addition, we extend the investigation to the complexes of the analogously substituted derivatives of 4′-SMe-terpy. The substitution at position(s) 5 (and 5″) with Cl lowers the energy of the quintet state and increases its lifetime; the results on the 4′-SMe-substituted complexes show similar changes with these two substitutions, verifying that these effects are more or less additive. This study contributes to the enhancement of our molecular engineering toolset for modifying the potential energy landscape of similar complexes.","dsDescriptionDate":"2023-04-11"},"dateOfDeposit":"2023-10-10","title":"Molecular Engineering to Tune Functionality: The Case of Cl-Substituted [Fe(terpy)2]2+","subject":["Chemistry","Physics"],"depositor":"Buzsaki, Daniel","software":[{"softwareName":"ORCA","softwareVersion":"3.0.0"},{"softwareName":"MossWinn","softwareVersion":"4.0"}],"grantNumber":[{"grantNumberAgency":"Government of Hungary and the European Regional Development Fund","grantNumberValue":"VEKOP-2.3.2-16-2017-00015"},{"grantNumberAgency":"National Research, Development and Innovation Fund of Hungary (NKFIH)","grantNumberValue":"2018-1.2.1-NKP-2018-00012"},{"grantNumberAgency":"National Research, Development and Innovation Fund of Hungary (NKFIH)","grantNumberValue":"FK 124460"},{"grantNumberAgency":"National Research, Development and Innovation Fund of Hungary (NKFIH)","grantNumberValue":"PD 131845"}],"language":"English","@id":"https://hdl.handle.net/21.15109/CONCORDA/VF4I94","@type":["ore:Aggregation","schema:Dataset"],"schema:version":"1.0","schema:name":"Molecular Engineering to Tune Functionality: The Case of Cl-Substituted [Fe(terpy)2]2+","schema:dateModified":"Wed Nov 08 13:34:07 CET 2023","schema:datePublished":"2023-11-08","schema:creativeWorkStatus":"RELEASED","schema:license":"http://creativecommons.org/licenses/by/4.0","dvcore:fileTermsOfAccess":{"dvcore:fileRequestAccess":false},"schema:includedInDataCatalog":"ARP","schema:isPartOf":{"schema:name":"Wigner Research Centre for Physics","@id":"https://repo.researchdata.hu/dataverse/wigner","schema:description":"<h2>HUN-REN Wigner Fizikai Kutatóközpont (HUN-REN Wigner FK)</h2> <p> A HUN-REN Wigner FK 2012. január 1-től a korábbi MTA KFKI Részecske- és Magfizikai Kutatóintézet és a korábbi MTA Szilárdtestfizikai és Optikai Kutatóintézet egyesülésével jött létre. Jelenleg a Magyar Kutatási Hálózat legnagyobb fizikával foglalkozó kutatóközpontja, illetve a Magyar Tudományos Akadémia Kiválósági Kutatóközpontja. 2013-tól a Kutatóközpont részeként működik a világszínvonalú Wigner Adatközpont is. </p>","schema:isPartOf":{"schema:name":"Hungarian Research Network","@id":"https://repo.researchdata.hu/dataverse/hun-ren","schema:description":"<h2>A HUN-REN Magyar Kutatási Hálózat intézményi tárolója</h2>\nA HUN-REN Magyar Kutatási Hálózat a magyar tudományos élet alappillérét jelentő kutatási hálózat. A hálózat tizenegy kutatóközpontjának, hét kutatóintézetének, továbbá egyetemeken és más közintézményekben működő 116 támogatott kutatócsoportjának kutatói a matematikai és természettudományok, az élettudományok, illetve a bölcsészet- és társadalomtudományok legváltozatosabb területein végeznek alap- és alkalmazott kutatásokat.","schema:isPartOf":{"schema:name":"ARP","@id":"https://repo.researchdata.hu/dataverse/root","schema:description":"This is the root dataverse collection for HUN-REN ARP."}}},"schema:inLanguage":"en","ore:aggregates":[{"schema:name":"H0.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/UV","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/9DUXAX","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/9DUXAX","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":11829,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e801b-f43e9dc1d6f8","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"afb34d0ebd15447e6c747b02d32c5e75"}},{"schema:name":"H0_HRMS.pdf","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/HRMS","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/DPUTCT","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/DPUTCT","@type":"ore:AggregatedResource","schema:fileFormat":"application/pdf","dvcore:filesize":195103,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7ce8-e0917afa21d5","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"de4f991a55d69159b843477d00b747c2"}},{"schema:name":"H0_HRMS_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/HRMS","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/TNJ4U6","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/TNJ4U6","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":316,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7cea-104bfbd7a7bf","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"31ba0228d9ca4c1a4e940b9815e28f0b"}},{"schema:name":"H0_Mossbauer_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Mossbauer","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/LMC5UL","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/LMC5UL","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":402,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7cfb-39b468d13a8b","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"33e443a76556926f7216a190f02ffe56"}},{"schema:name":"H0_UV_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/UV","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/3H6BOL","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/3H6BOL","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":389,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e801d-36d369deec0f","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"67007cf4f4630ecf1e330afc34a76d47"}},{"schema:name":"H0_hs_B3LYP_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/PNL3Q1","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/PNL3Q1","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":607,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d17-dc592da763b3","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"f7f0657edbcdfb89876bac4fb189835b"}},{"schema:name":"H0_hs_BP86_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/GZZR2M","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/GZZR2M","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":603,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e92-cbc723230a15","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"a85b03cb7dc7d82175038254700e9965"}},{"schema:name":"H0_is_B3LYP_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/DH5D5C","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/DH5D5C","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":607,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d29-d2adb3393d68","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"2f6b5f5b6910fbcd295f61bbe12947fc"}},{"schema:name":"H0_is_BP86_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/BA8CR6","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/BA8CR6","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":605,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7ea8-f41d5920d879","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"ed8a4670baa331d7d0e09456372f0798"}},{"schema:name":"H0_ls_B3LYP_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/A3ZAZY","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/A3ZAZY","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":607,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d39-073f64f893d4","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"c3032fd93ce7eba3d1c78574047dfeb4"}},{"schema:name":"H0_ls_BP86_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/LA6LQM","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/LA6LQM","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":603,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7ebd-62a505580c90","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"79dd51ba344acb25ec10409f3bd94afc"}},{"schema:name":"H0_ls_TDDFT_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_TDDFT","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/B97ANT","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/B97ANT","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":589,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e4d-be86f75e7e84","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"5ce095edb09c2ce09f6350bbf2fc74b3"}},{"schema:name":"H0_mossbauer.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Mossbauer","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/EYJC66","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/EYJC66","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":20413,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7cf9-0cc72099a3b6","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"43a534053a108d5e44aed10e1afcb5db"}},{"schema:name":"H1.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/UV","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/3S1PTQ","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/3S1PTQ","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":11787,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e8020-04101e3ff628","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"6e67238290dbda0bce5bf574f637ab5a"}},{"schema:name":"H1_Mossbauer_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Mossbauer","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/8R8JG4","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/8R8JG4","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":402,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d00-fa7562af3992","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"dfab367f80886ebde2dccdc354b2e030"}},{"schema:name":"H1_UV_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/UV","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/93NKKQ","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/93NKKQ","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":389,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e8022-b72b10ab7f35","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"de3e2ac945240ca487f72ed06c3d00fd"}},{"schema:name":"H1_hs_B3LYP_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/KAQRUB","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/KAQRUB","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":607,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d4f-5742c92229e9","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"3b2dacdbaae8099687495fd2b44c180d"}},{"schema:name":"H1_hs_BP86_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/GDEDYG","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/GDEDYG","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":603,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7ee5-fb53d78e28c4","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"8444f29db353eaf767c42a52a3e90856"}},{"schema:name":"H1_is_B3LYP_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/RBRKY4","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/RBRKY4","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":607,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d62-e0d1d3ef596e","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"4f611a69579614d2fe11f5f85514cf34"}},{"schema:name":"H1_is_BP86_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/QBMRNV","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/QBMRNV","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":606,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7efb-17275413b22a","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"3a7fcfc4b566e5bb7bebf9f332a91a39"}},{"schema:name":"H1_ls_B3LYP_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/EQ055G","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/EQ055G","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":606,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d76-56c75406664a","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"453eb65ed5b450d77bef568e15d1d6f3"}},{"schema:name":"H1_ls_BP86_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/X6QVJO","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/X6QVJO","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":605,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7f0e-853431fb37e9","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"a3756222d81ac26bc8114f33b3350f4b"}},{"schema:name":"H1_ls_TDDFT_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_TDDFT","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/E00NGH","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/E00NGH","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":588,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e56-c56d2ae2471a","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"49a47354889eb7cae8f595da9d842d7b"}},{"schema:name":"H1_mossbauer.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Mossbauer","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/X4E040","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/X4E040","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":20312,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7cfe-c6a2ceca65e9","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"2bfce12298b0afb7547b114be84c32a8"}},{"schema:name":"H2.cif","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/CV","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/EBYHGZ","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/EBYHGZ","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-cif","dvcore:filesize":1213327,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7caa-9ca7572a2fc4","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"09ef9684392c38bd06990d7b33399d1d"}},{"schema:name":"H2.cif","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/XRD","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/O80VPJ","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/O80VPJ","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-cif","dvcore:filesize":1213327,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e8041-a1877aed27b0","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"09ef9684392c38bd06990d7b33399d1d"}},{"schema:name":"H2.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/UV","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/2U9KP5","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/2U9KP5","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":11894,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e8024-dec240d8a6bb","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"8b4e7e20e6cfc986cbf93301a977749b"}},{"schema:name":"H2_Mossbauer_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Mossbauer","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/RPYT99","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/RPYT99","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":402,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d06-3b4f4e9c8ebb","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"80016a35e2916e8e2fe9dfc66a7f9fbe"}},{"schema:name":"H2_UV_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/UV","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/YLWMS1","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/YLWMS1","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":398,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e8027-a11e399317ee","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"b05ee6d1beda5e029b6be4c41643424a"}},{"schema:name":"H2_XRD_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/CV","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/WNGV3C","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/WNGV3C","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":392,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7cb2-cb457bbb944d","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"50ad386565e52ec71dc8ab0bc36aacf7"}},{"schema:name":"H2_XRD_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/XRD","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/CW1EKU","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/CW1EKU","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":392,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e8048-1193cc6ca280","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"50ad386565e52ec71dc8ab0bc36aacf7"}},{"schema:name":"H2_hs_B3LYP_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/EJMAMQ","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/EJMAMQ","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":607,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d8f-dc79ef27d8a1","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"3902e03298ec08ecc5cc507621213b0d"}},{"schema:name":"H2_hs_BP86_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/NKRZ06","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/NKRZ06","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":602,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7f2c-f5b85ffa566c","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"cf90ca9eb5b5e75555ae4e9e949e83d8"}},{"schema:name":"H2_is_B3LYP_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/XLUBQS","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/XLUBQS","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":607,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d9e-08b6d3a5f859","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"1775e4020086febf0726ae678bfd30e1"}},{"schema:name":"H2_is_BP86_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/3ZEIAL","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/3ZEIAL","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":606,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7f44-5f6a460f2c69","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"2ff02b7bd762f6c64fd85f4e8f28480a"}},{"schema:name":"H2_ls_B3LYP_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/QOM15H","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/QOM15H","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":607,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7db1-40cc7fde14bc","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"6dc7f114d561741e4cf3da50e2f7ac6e"}},{"schema:name":"H2_ls_BP86_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/SZV26K","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/SZV26K","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":604,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7f56-c753f34c7fed","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"f778cc8d5ff4244ffd0a277348b9620c"}},{"schema:name":"H2_ls_TDDFT_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_TDDFT","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/0JNIQQ","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/0JNIQQ","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":589,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e5f-4e809612c0ee","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"e478e4d2cad0d9b561c60de77b8480b9"}},{"schema:name":"H2_mossbauer.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Mossbauer","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/XSEFXR","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/XSEFXR","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":20307,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d03-5f23a5978181","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"62399b498b986028b286d85388470b38"}},{"schema:name":"S0.cif","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/CV","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/N0NB1F","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/N0NB1F","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-cif","dvcore:filesize":1983032,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7cc1-5e63eb8c685e","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"e4d1e330f34aebf7696f9e4e454d4768"}},{"schema:name":"S0.cif","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/XRD","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/SW8PAN","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/SW8PAN","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-cif","dvcore:filesize":1983032,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e8056-a1731093ce1f","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"e4d1e330f34aebf7696f9e4e454d4768"}},{"schema:name":"S0.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/UV","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/QKDYNA","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/QKDYNA","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":11834,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e8029-fd6b6b1e95ab","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"5f2f9c2e3007022a43ab2a1a22eaa8d7"}},{"schema:name":"S0_HRMS.pdf","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/HRMS","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/IY3R0O","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/IY3R0O","@type":"ore:AggregatedResource","schema:fileFormat":"application/pdf","dvcore:filesize":67372,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7ced-ad4e015a4a07","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"ac748aaf79ac83a64a6eaf22fbef87e6"}},{"schema:name":"S0_HRMS_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/HRMS","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/B6FDOC","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/B6FDOC","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":316,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7cef-000efb4c382d","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"25d42d569f2e6cfc2cc1ed21f7fc76d0"}},{"schema:name":"S0_Mossbauer_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Mossbauer","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/R5G05I","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/R5G05I","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":402,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d0b-33addbbeabe4","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"7ca2220462674d95e4e89276d5052117"}},{"schema:name":"S0_UV_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/UV","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/GLNOL0","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/GLNOL0","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":389,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e802c-2ec1c0192a30","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"0b6d21906094e9d390de00c3be8718d5"}},{"schema:name":"S0_XRD_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/CV","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/OMZA6A","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/OMZA6A","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":392,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7ccb-b32d7326a32d","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"98fd72bac1422936c77ac8053ed93156"}},{"schema:name":"S0_XRD_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/XRD","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/D4L0FU","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/D4L0FU","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":392,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e8060-864e2dab5413","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"98fd72bac1422936c77ac8053ed93156"}},{"schema:name":"S0_hs_B3LYP_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/DMDYZQ","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/DMDYZQ","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":605,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7dd6-fa8ff83bf97c","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"b826a25eceda1ac88356f23344e749cd"}},{"schema:name":"S0_hs_BP86_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/EPXLD4","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/EPXLD4","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":606,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7f75-e9493aeb8c84","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"149f4403e484065541a03e69ee8efff1"}},{"schema:name":"S0_is_BP86_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/FM5N2K","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/FM5N2K","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":605,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7f83-ca09a9a4e59f","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"a9738da8f5692d78bb5f9a31144ff569"}},{"schema:name":"S0_ls_B3LYP_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/XUZSN2","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/XUZSN2","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":608,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7dea-1386afd58aca","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"401a21c3fd7781d1697f85160d04e832"}},{"schema:name":"S0_ls_BP86_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/JDXEU1","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/JDXEU1","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":603,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7f99-3ec4ee3e9371","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"ea840e3a1c9d37a1b1192b37ced745ad"}},{"schema:name":"S0_ls_TDDFT_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_TDDFT","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/DJL4RI","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/DJL4RI","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":588,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e67-5d591c39f1d9","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"b83b6cb6ace2d7fa678430ea0b87dee4"}},{"schema:name":"S0_mossbauer.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Mossbauer","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/FPRUMG","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/FPRUMG","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":21332,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d08-803367209525","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"c8887f69904172373acee5ca1eb19400"}},{"schema:name":"S1.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/UV","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/QPVU5V","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/QPVU5V","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":11893,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e802e-36c19bd46555","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"6d325b10178a3a789fe848fc45988e1c"}},{"schema:name":"S1_Mossbauer_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Mossbauer","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/WUZTUI","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/WUZTUI","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":402,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d10-356b866b9c8d","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"54a1762ebda9722fcf0b42cf402f6c9d"}},{"schema:name":"S1_UV_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/UV","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/IIXRXB","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/IIXRXB","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":389,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e8031-ed2b9d315b15","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"a085e2cd0ee0ea14521e3264fb6d2d1b"}},{"schema:name":"S1_hs_B3LYP_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/E3AHG9","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/E3AHG9","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":606,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e02-8ed5f4b892a4","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"d19af26514606709007003b888037d89"}},{"schema:name":"S1_hs_BP86_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/GNBDSW","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/GNBDSW","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":606,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7fa6-61bc832cdd26","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"e44a1fa04fc3cb271f570811312f79d7"}},{"schema:name":"S1_is_BP86_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/W0R7NV","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/W0R7NV","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":604,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7fb2-7f34adc9abcd","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"52a847ab08dbafec16f174399fcfb9f1"}},{"schema:name":"S1_ls_B3LYP_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/NPBMBB","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/NPBMBB","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":608,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e16-ac0aff5b5228","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"baa7c091550ad838c3e078c9fe998a65"}},{"schema:name":"S1_ls_BP86_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/J8NGZI","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/J8NGZI","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":603,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7fc5-a7dcf0caf0e8","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"60ecc17d366f9919de03c998061b080b"}},{"schema:name":"S1_ls_TDDFT_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_TDDFT","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/CRHZZ4","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/CRHZZ4","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":589,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e70-2a15c4f5133c","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"d6de325c142d4443ed4a4126274abe4f"}},{"schema:name":"S1_mossbauer.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Mossbauer","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/EOHAS2","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/EOHAS2","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":20309,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d0d-409a85b9f11e","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"1b94757e214cb08c2bc7237e72caa842"}},{"schema:name":"S2.cif","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/CV","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/YKOONY","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/YKOONY","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-cif","dvcore:filesize":1604030,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7cd9-2786aa16842c","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"6029a1ee5cb5f79d5fe4feb93e581663"}},{"schema:name":"S2.cif","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/XRD","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/AF2HEZ","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/AF2HEZ","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-cif","dvcore:filesize":1604030,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e806c-27944f02e774","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"6029a1ee5cb5f79d5fe4feb93e581663"}},{"schema:name":"S2.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/UV","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/S2NML9","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/S2NML9","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":11818,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e8033-0b5e07b035d6","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"ed8fb4281305462cdf03c29271d36baf"}},{"schema:name":"S2_HRMS.pdf","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/HRMS","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/DVZUTJ","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/DVZUTJ","@type":"ore:AggregatedResource","schema:fileFormat":"application/pdf","dvcore:filesize":47084,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7cf2-f772af658a30","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"7255a2061c7e572c672a26449314aa13"}},{"schema:name":"S2_HRMS_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/HRMS","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/MRTBIY","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/MRTBIY","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":316,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7cf4-d72b9d41f89e","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"d2dd652514a3e4c450860f7d17a23f5c"}},{"schema:name":"S2_Mossbauer_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Mossbauer","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/ETGSKY","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/ETGSKY","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":402,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d15-9e8f3b1aec4b","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"6b2ec31842a1c08e4fb326f06afc4b1b"}},{"schema:name":"S2_UV_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/UV","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/QWA1ON","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/QWA1ON","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":389,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e8036-2e9610bb6362","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"df5e4182f4411f7c9cb9f8035a0220c5"}},{"schema:name":"S2_XRD_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/XRD","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/KXFRL8","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/KXFRL8","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":391,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e8073-b2fc867ae9f4","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"cc86abe2223506d9604fcef52cecdce3"}},{"schema:name":"S2_XRD_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/CV","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/PIP64L","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/PIP64L","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":391,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7ce1-a820de2046ef","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"cc86abe2223506d9604fcef52cecdce3"}},{"schema:name":"S2_hs_B3LYP_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/WCDFOI","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/WCDFOI","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":606,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e2f-f54e0f030ccc","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"cb6d636f7235e78226b05ddccbf0c718"}},{"schema:name":"S2_hs_BP86_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/797WJV","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/797WJV","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":603,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7fe3-0c56fa848bae","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"f382a68b6c46b312b297f06e78ff4d54"}},{"schema:name":"S2_is_BP86_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/UO1YKA","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/UO1YKA","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":606,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7ffd-3d392af23cc1","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"71a6c76114eb8280040167c1d6f75d26"}},{"schema:name":"S2_ls_B3LYP_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/X1GJZY","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/X1GJZY","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":608,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e44-be2ac946cf46","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"eb38da039f991e56f2faf6ccca4390b0"}},{"schema:name":"S2_ls_BP86_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/KWWTD2","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/KWWTD2","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":602,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e8013-ef272d883540","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"c9c50d9dc4297b39118545f9e83f7cf1"}},{"schema:name":"S2_ls_TDDFT_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_TDDFT","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/7QTNQT","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/7QTNQT","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":588,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e78-6d70c669d2b7","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"7b1add642242743438fbf39585efc476"}},{"schema:name":"S2_mossbauer.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Mossbauer","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/MV2X1D","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/MV2X1D","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":20309,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d12-86924157b522","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"285f738c143393850c0634a042135408"}},{"schema:name":"generic_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/M9PJZ1","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/M9PJZ1","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":799,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e8016-2814ebdfe31e","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"16d347c1d017f17aec17dad7906af7ef"}},{"schema:name":"generic_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/HRMS","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/RHQJUI","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/RHQJUI","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":319,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7ce4-02443f2bfd94","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"ca31692c244d81c7e6e7b31707deb112"}},{"schema:name":"generic_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Mossbauer","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/OUWTQA","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/OUWTQA","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":458,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7cf6-7847d4e1eb1b","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"33f68b6a918ca334b2bb917cfd062bc3"}},{"schema:name":"generic_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/CV","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/NFOXCZ","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/NFOXCZ","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":621,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7c9c-b43260ce4378","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"b74962b2b4caca04ecc8617dc609c174"}},{"schema:name":"generic_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/XRD","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/QMJC9A","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/QMJC9A","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":621,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e8038-d8d58f78c2f4","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"b74962b2b4caca04ecc8617dc609c174"}},{"schema:name":"generic_metadata.txt","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/UV","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/9ACHS5","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/9ACHS5","@type":"ore:AggregatedResource","schema:fileFormat":"text/plain","dvcore:filesize":377,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e8018-37cb14ffe23b","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"8a030d631ed5b5a6b44b155bd784e411"}},{"schema:name":"h0_hs_bp.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/MMC9Z7","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/MMC9Z7","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":1587548,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e85-40d194f00498","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"ae7b08b1e8ddec0201fc7e3c1bed540a"}},{"schema:name":"h0_hs_bp.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/8GQHVS","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/8GQHVS","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4014,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e8f-4aef658f169e","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"0b19b2ec4413cec0ae72b3bbc23247d2"}},{"schema:name":"h0_is_b3.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/TN3HXY","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/TN3HXY","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":1031219,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d20-172e88356659","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"d8dc69a820075c0d0fb627c750ee1fb5"}},{"schema:name":"h0_is_b3.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/KS6GUJ","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/KS6GUJ","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4014,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d27-a1ed74c0c4a1","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"7b455ef06a9554c56fd74670301a038c"}},{"schema:name":"h0_is_bp.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/2BHGKD","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/2BHGKD","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":1032481,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e9d-6d01f8a25b6b","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"0a05a436e6ed6644d0c5d94025de1df5"}},{"schema:name":"h0_is_bp.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/QU4M6U","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/QU4M6U","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4014,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7ea4-ff8aced413d7","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"0070cba3b59da78003909bd29500142b"}},{"schema:name":"h0_ls_b3.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/FNLK8Z","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/FNLK8Z","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":772694,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d31-16933819d085","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"535a6c51efd4c1f2541f829761876933"}},{"schema:name":"h0_ls_b3.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/KUGKBG","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/KUGKBG","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4013,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d36-2b960749bcb1","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"35599b7200dd27d97f49717b99babd64"}},{"schema:name":"h0_ls_bp.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/C83CLR","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/C83CLR","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":978214,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7eb2-acc7a77b6168","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"4ec90723c1467cb1e52893dda9c3b556"}},{"schema:name":"h0_ls_bp.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/23KZMI","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/23KZMI","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4012,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7eba-e2777faeba87","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"0073900c588c6cada6f76dc639cef5c1"}},{"schema:name":"h0_ls_tddft.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_TDDFT","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/9XVIKI","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/9XVIKI","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":306835,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e49-7932c9291dbe","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"0195c157037b01e0570c5e62975223a3"}},{"schema:name":"h1_hs_b3.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/OUCFYF","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/OUCFYF","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":1331449,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d44-49aa410ce940","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"af4fd1e01745105d773169c6a6419fc6"}},{"schema:name":"h1_hs_b3.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/FDSVYC","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/FDSVYC","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4014,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d4c-4e91dba969fb","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"13609cca859502c84eeae571c0aeb771"}},{"schema:name":"h1_hs_bp.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/8QVBV6","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/8QVBV6","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":1594955,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7ed8-b9a6eab478d1","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"320d511ec4b2cab5e4e1c4572f35c164"}},{"schema:name":"h1_hs_bp.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/UAWL0Q","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/UAWL0Q","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4014,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7ee2-675b9e48db9c","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"5326db7a01c4aa6caa54eb63bdc8dc46"}},{"schema:name":"h1_is_b3.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/A4MCMK","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/A4MCMK","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":1102555,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d59-3ad7a96914eb","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"dcca1e074c614e6ad4a55c49beb3bd39"}},{"schema:name":"h1_is_b3.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/MMWEKD","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/MMWEKD","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4014,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d60-257edc204cf3","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"d5d3499bde6f8a47c35f93b43513b293"}},{"schema:name":"h1_is_bp.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/IZ4PPM","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/IZ4PPM","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":1234227,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7ef0-0e0551d715a8","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"f013da0f5a8c7d7ab9505915be6c1365"}},{"schema:name":"h1_is_bp.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/5AEQRD","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/5AEQRD","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4014,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7ef8-85d7f8d08e2c","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"e08cfb65023d79c2d62e2d7c2fec8af1"}},{"schema:name":"h1_ls_b3.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/E0OCWY","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/E0OCWY","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":847200,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d6a-09e45cc335a5","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"23c0c2d89d680a0270355127d5020f5a"}},{"schema:name":"h1_ls_b3.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/N1JO0U","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/N1JO0U","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4014,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d72-6facf662317b","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"d86a0013818a77396ff7479b8b3e451e"}},{"schema:name":"h1_ls_bp.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/VBKO7M","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/VBKO7M","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":988611,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7f04-69e45915b73c","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"729d8891d452faba99e65ac603a366f1"}},{"schema:name":"h1_ls_bp.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/ZE3QWD","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/ZE3QWD","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4014,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7f0a-9e0c080d3ff2","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"eb1b507acac6ebc7cea49eed87d07263"}},{"schema:name":"h1_ls_tddft.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_TDDFT","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/FI7EGA","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/FI7EGA","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":314174,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e51-dda55fc0208f","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"ff9260cf9e4768c0369851dbd9621864"}},{"schema:name":"h2_hs_b3.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/GEYGI1","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/GEYGI1","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":1271356,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d83-a973188d374f","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"a6a1eeb1a64e3952894d699471cfbb7e"}},{"schema:name":"h2_hs_b3.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/BXIPZN","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/BXIPZN","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4014,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d8c-07d11a7cf657","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"a1e899b045ce40d436d10ca487b6f01a"}},{"schema:name":"h2_hs_bp.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/ZZCX9O","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/ZZCX9O","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":1606530,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7f1f-3ec89d8182b9","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"453fbe5c1620768651913089a939fc05"}},{"schema:name":"h2_hs_bp.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/URBF2X","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/URBF2X","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4014,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7f29-3728d43453a0","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"8490e01dff7208da474bd7cce880aae5"}},{"schema:name":"h2_is_b3.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/PXLGEE","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/PXLGEE","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":595984,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d96-2e2c267ba0c3","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"d2e88365ece9b3b649ffe8478fdc5d0f"}},{"schema:name":"h2_is_b3.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/0XJXEG","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/0XJXEG","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4014,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7d9b-8001d3d28823","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"3fc4bd81580bda85c11b93e54532d37e"}},{"schema:name":"h2_is_bp.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/NMTLPJ","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/NMTLPJ","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":1439060,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7f39-6c522108bece","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"d9ecc45de6453e00fc15ad33d6378161"}},{"schema:name":"h2_is_bp.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/KK09W2","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/KK09W2","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4014,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7f42-c8225354589a","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"65ec8ecac20bafe09becf9e1ecd4c1de"}},{"schema:name":"h2_ls_b3.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/OLXIBQ","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/OLXIBQ","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":856417,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7da7-7de6f82f4848","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"1f2025f745be31f2caeea0ab22a6e62b"}},{"schema:name":"h2_ls_b3.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/W1TFJO","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/W1TFJO","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4014,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7dae-0538d4dd17dd","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"3554b15f2c2b619f9f9bd400b4bee8e9"}},{"schema:name":"h2_ls_bp.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/GLLODU","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/GLLODU","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":996641,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7f4d-6f82eb300621","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"07f8ea4382231aebd927a1d6001eb144"}},{"schema:name":"h2_ls_bp.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/PV5G93","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/PV5G93","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4014,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7f53-546b300f5df4","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"844ecc73cc37aa638c86a6e0a69a6dd1"}},{"schema:name":"h2_ls_tddft.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_TDDFT","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/Y0GXRI","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/Y0GXRI","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":296646,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e5b-4f440946142e","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"86c30296b3e1cc9a5364965276ea2bfd"}},{"schema:name":"s0_hs_b3.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/C7IYEX","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/C7IYEX","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":2442564,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7dc5-a5ba24fc56f9","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"c3272b057cde1eb1e4769f8cf9d69780"}},{"schema:name":"s0_hs_b3.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/7WOFNF","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/7WOFNF","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4550,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7dd2-15c3316844bb","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"268d724d9ff5076447579ce57227f147"}},{"schema:name":"s0_hs_bp.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/7H6LG2","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/7H6LG2","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":2128977,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7f67-1ae6b35876c9","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"414a97626ebd0428000f29ef4820ae3b"}},{"schema:name":"s0_hs_bp.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/QSFNDR","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/QSFNDR","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4550,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7f72-244ea56e9659","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"ad99a0b21d73071411939b427616d5e4"}},{"schema:name":"s0_is_bp.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/XHAXJY","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/XHAXJY","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":506170,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7f7b-c8c8c71538ab","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"b3a57fedcc086956d74cc92a5072fe3e"}},{"schema:name":"s0_is_bp.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/AGVEHR","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/AGVEHR","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4550,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7f80-511277b0a886","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"31fbbc67f925ce5d0f1ff8f571a02d90"}},{"schema:name":"s0_ls_b3.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/CEC9I7","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/CEC9I7","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":1057872,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7de0-7bfed25d1bfc","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"0db94c502c738ad4333b308cd249b739"}},{"schema:name":"s0_ls_b3.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/MZWNFU","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/MZWNFU","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4549,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7de7-b5c187d33d95","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"d5f2c63ec11288b8e7f4ee656ceffbb6"}},{"schema:name":"s0_ls_bp.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/CDZBYT","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/CDZBYT","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":1138217,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7f8e-caf9a35bb1a4","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"c77a3781ad447854901dea0ef3547ae3"}},{"schema:name":"s0_ls_bp.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/10IT08","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/10IT08","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4549,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7f96-c6c33983b93a","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"72d032c831c4fc1aad4429e44a867d33"}},{"schema:name":"s0_ls_tddft.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_TDDFT","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/VD0JTJ","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/VD0JTJ","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":339585,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e63-6a2267508a05","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"702ed44a5661546c7dc36dadccb31ec6"}},{"schema:name":"s1_hs_b3.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/GISSV4","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/GISSV4","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":1500213,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7df6-b062fcb207fa","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"1e3668119e119399788e54ae6067e1e6"}},{"schema:name":"s1_hs_b3.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/BG32IB","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/BG32IB","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4550,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7dff-81d7694bd1c4","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"acbd37d905c320c0b11391e2e78d61de"}},{"schema:name":"s1_hs_bp.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/WDFJ8G","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/WDFJ8G","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":509459,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7f9e-521876b03a88","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"54d6eb44f27c6b5ab73ae17792b81d9a"}},{"schema:name":"s1_hs_bp.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/ILKYCY","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/ILKYCY","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4550,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7fa3-ace3c2581ea4","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"da17ce8d6d80ac8abc700c4cd8e762e2"}},{"schema:name":"s1_is_bp.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/EHLD7R","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/EHLD7R","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":514927,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7fab-8b807675f832","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"fdb3aa29d4c4ab3fcccd7ad5f2f293f4"}},{"schema:name":"s1_is_bp.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/GW1XMA","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/GW1XMA","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4549,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7fb0-950fcc0ae804","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"d15e018b54f3c177bd2e72f84e9cb880"}},{"schema:name":"s1_ls_b3.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/208SCB","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/208SCB","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":1068185,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e0c-8af26a700965","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"df9de8a5cc233aa6b622b86841520712"}},{"schema:name":"s1_ls_b3.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/UJYRFK","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/UJYRFK","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4549,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e13-d25a638003c3","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"7bd03bf09ac11faabf034a998bdb537d"}},{"schema:name":"s1_ls_bp.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/NMKNAD","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/NMKNAD","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":1147858,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7fbc-7864568b9b15","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"23f2a29f4cfd51d4307e95b5c6ba92e8"}},{"schema:name":"s1_ls_bp.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/99O8KH","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/99O8KH","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4549,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7fc3-c2681e2c1034","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"df62e617ba0c444c4e505e0274ef6928"}},{"schema:name":"s1_ls_tddft.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_TDDFT","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/40CWQR","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/40CWQR","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":330783,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e6c-91f97b94b90b","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"7fa38ea8add841c5bfd6b4c0b4dda96b"}},{"schema:name":"s2_hs_b3.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/6RPN3N","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/6RPN3N","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":1369113,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e23-0c8219b56bd3","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"968ab7ce0b6b2bc830355d0e9dacd58b"}},{"schema:name":"s2_hs_b3.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/JLFJCS","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/JLFJCS","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4550,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e2c-637a83822fd6","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"9f9ba96bda1fbbc33d2c5246cf5204fa"}},{"schema:name":"s2_hs_bp.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/8FJ1OO","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/8FJ1OO","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":2103793,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7fd5-766f4bc2c48e","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"73278686d876d2f0bfd5bd70be4bdca4"}},{"schema:name":"s2_hs_bp.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/Z5HBQF","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/Z5HBQF","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":1386,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7fe0-65bf66d6f3d8","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"f53648f7b220b784e1d4bc7d36a31bea"}},{"schema:name":"s2_is_bp.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/RNUG5I","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/RNUG5I","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":1644412,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7ff0-057cef89d205","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"e25e1717b65a74c0335f68485be8f78b"}},{"schema:name":"s2_is_bp.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/O47XZ1","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/O47XZ1","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4550,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7ffa-adf4faa357ad","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"86a44c3ce23d0dcb9c4921861ad528d8"}},{"schema:name":"s2_ls_b3.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/JO9JIH","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/JO9JIH","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":1148419,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e39-4e632e49e00e","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"f997418a64434a8c781503e593077303"}},{"schema:name":"s2_ls_b3.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/DGLXJF","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/DGLXJF","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4549,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e42-6cbe1d0d8dec","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"1797e7ce9f6b963e4e03ff8e53c0b18e"}},{"schema:name":"s2_ls_bp.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/GEZ68H","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/GEZ68H","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":1296631,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e8008-84d101a575aa","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"a282a24e95a0463184faef7cfdb55b16"}},{"schema:name":"s2_ls_bp.xyz","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/BP86_opt","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/8GJOGC","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/8GJOGC","@type":"ore:AggregatedResource","schema:fileFormat":"chemical/x-xyz","dvcore:filesize":4549,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e8010-ade3e486ce1b","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"92858763275f7eaf21977dfd0ae8209b"}},{"schema:name":"s2_ls_tddft.out","dvcore:restricted":false,"dvcore:directoryLabel":"concorda/Quantum chemical calculations/B3LYP_TDDFT","schema:version":1,"dvcore:datasetVersionId":2251,"@id":"hdl:21.15109/CONCORDA/VF4I94/DQP4OO","schema:sameAs":"https://repo.researchdata.hu/api/access/datafile/:persistentId?persistentId=hdl:21.15109/CONCORDA/VF4I94/DQP4OO","@type":"ore:AggregatedResource","schema:fileFormat":"application/octet-stream","dvcore:filesize":322828,"dvcore:storageIdentifier":"s3-sztaki://concorda:18b3d7e7e74-37822285ce03","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"6f8150d6689998ed91a7ac4fafaaeac5"}}],"schema:hasPart":["hdl:21.15109/CONCORDA/VF4I94/9DUXAX","hdl:21.15109/CONCORDA/VF4I94/DPUTCT","hdl:21.15109/CONCORDA/VF4I94/TNJ4U6","hdl:21.15109/CONCORDA/VF4I94/LMC5UL","hdl:21.15109/CONCORDA/VF4I94/3H6BOL","hdl:21.15109/CONCORDA/VF4I94/PNL3Q1","hdl:21.15109/CONCORDA/VF4I94/GZZR2M","hdl:21.15109/CONCORDA/VF4I94/DH5D5C","hdl:21.15109/CONCORDA/VF4I94/BA8CR6","hdl:21.15109/CONCORDA/VF4I94/A3ZAZY","hdl:21.15109/CONCORDA/VF4I94/LA6LQM","hdl:21.15109/CONCORDA/VF4I94/B97ANT","hdl:21.15109/CONCORDA/VF4I94/EYJC66","hdl:21.15109/CONCORDA/VF4I94/3S1PTQ","hdl:21.15109/CONCORDA/VF4I94/8R8JG4","hdl:21.15109/CONCORDA/VF4I94/93NKKQ","hdl:21.15109/CONCORDA/VF4I94/KAQRUB","hdl:21.15109/CONCORDA/VF4I94/GDEDYG","hdl:21.15109/CONCORDA/VF4I94/RBRKY4","hdl:21.15109/CONCORDA/VF4I94/QBMRNV","hdl:21.15109/CONCORDA/VF4I94/EQ055G","hdl:21.15109/CONCORDA/VF4I94/X6QVJO","hdl:21.15109/CONCORDA/VF4I94/E00NGH","hdl:21.15109/CONCORDA/VF4I94/X4E040","hdl:21.15109/CONCORDA/VF4I94/EBYHGZ","hdl:21.15109/CONCORDA/VF4I94/O80VPJ","hdl:21.15109/CONCORDA/VF4I94/2U9KP5","hdl:21.15109/CONCORDA/VF4I94/RPYT99","hdl:21.15109/CONCORDA/VF4I94/YLWMS1","hdl:21.15109/CONCORDA/VF4I94/WNGV3C","hdl:21.15109/CONCORDA/VF4I94/CW1EKU","hdl:21.15109/CONCORDA/VF4I94/EJMAMQ","hdl:21.15109/CONCORDA/VF4I94/NKRZ06","hdl:21.15109/CONCORDA/VF4I94/XLUBQS","hdl:21.15109/CONCORDA/VF4I94/3ZEIAL","hdl:21.15109/CONCORDA/VF4I94/QOM15H","hdl:21.15109/CONCORDA/VF4I94/SZV26K","hdl:21.15109/CONCORDA/VF4I94/0JNIQQ","hdl:21.15109/CONCORDA/VF4I94/XSEFXR","hdl:21.15109/CONCORDA/VF4I94/N0NB1F","hdl:21.15109/CONCORDA/VF4I94/SW8PAN","hdl:21.15109/CONCORDA/VF4I94/QKDYNA","hdl:21.15109/CONCORDA/VF4I94/IY3R0O","hdl:21.15109/CONCORDA/VF4I94/B6FDOC","hdl:21.15109/CONCORDA/VF4I94/R5G05I","hdl:21.15109/CONCORDA/VF4I94/GLNOL0","hdl:21.15109/CONCORDA/VF4I94/OMZA6A","hdl:21.15109/CONCORDA/VF4I94/D4L0FU","hdl:21.15109/CONCORDA/VF4I94/DMDYZQ","hdl:21.15109/CONCORDA/VF4I94/EPXLD4","hdl:21.15109/CONCORDA/VF4I94/FM5N2K","hdl:21.15109/CONCORDA/VF4I94/XUZSN2","hdl:21.15109/CONCORDA/VF4I94/JDXEU1","hdl:21.15109/CONCORDA/VF4I94/DJL4RI","hdl:21.15109/CONCORDA/VF4I94/FPRUMG","hdl:21.15109/CONCORDA/VF4I94/QPVU5V","hdl:21.15109/CONCORDA/VF4I94/WUZTUI","hdl:21.15109/CONCORDA/VF4I94/IIXRXB","hdl:21.15109/CONCORDA/VF4I94/E3AHG9","hdl:21.15109/CONCORDA/VF4I94/GNBDSW","hdl:21.15109/CONCORDA/VF4I94/W0R7NV","hdl:21.15109/CONCORDA/VF4I94/NPBMBB","hdl:21.15109/CONCORDA/VF4I94/J8NGZI","hdl:21.15109/CONCORDA/VF4I94/CRHZZ4","hdl:21.15109/CONCORDA/VF4I94/EOHAS2","hdl:21.15109/CONCORDA/VF4I94/YKOONY","hdl:21.15109/CONCORDA/VF4I94/AF2HEZ","hdl:21.15109/CONCORDA/VF4I94/S2NML9","hdl:21.15109/CONCORDA/VF4I94/DVZUTJ","hdl:21.15109/CONCORDA/VF4I94/MRTBIY","hdl:21.15109/CONCORDA/VF4I94/ETGSKY","hdl:21.15109/CONCORDA/VF4I94/QWA1ON","hdl:21.15109/CONCORDA/VF4I94/KXFRL8","hdl:21.15109/CONCORDA/VF4I94/PIP64L","hdl:21.15109/CONCORDA/VF4I94/WCDFOI","hdl:21.15109/CONCORDA/VF4I94/797WJV","hdl:21.15109/CONCORDA/VF4I94/UO1YKA","hdl:21.15109/CONCORDA/VF4I94/X1GJZY","hdl:21.15109/CONCORDA/VF4I94/KWWTD2","hdl:21.15109/CONCORDA/VF4I94/7QTNQT","hdl:21.15109/CONCORDA/VF4I94/MV2X1D","hdl:21.15109/CONCORDA/VF4I94/M9PJZ1","hdl:21.15109/CONCORDA/VF4I94/RHQJUI","hdl:21.15109/CONCORDA/VF4I94/OUWTQA","hdl:21.15109/CONCORDA/VF4I94/NFOXCZ","hdl:21.15109/CONCORDA/VF4I94/QMJC9A","hdl:21.15109/CONCORDA/VF4I94/9ACHS5","hdl:21.15109/CONCORDA/VF4I94/MMC9Z7","hdl:21.15109/CONCORDA/VF4I94/8GQHVS","hdl:21.15109/CONCORDA/VF4I94/TN3HXY","hdl:21.15109/CONCORDA/VF4I94/KS6GUJ","hdl:21.15109/CONCORDA/VF4I94/2BHGKD","hdl:21.15109/CONCORDA/VF4I94/QU4M6U","hdl:21.15109/CONCORDA/VF4I94/FNLK8Z","hdl:21.15109/CONCORDA/VF4I94/KUGKBG","hdl:21.15109/CONCORDA/VF4I94/C83CLR","hdl:21.15109/CONCORDA/VF4I94/23KZMI","hdl:21.15109/CONCORDA/VF4I94/9XVIKI","hdl:21.15109/CONCORDA/VF4I94/OUCFYF","hdl:21.15109/CONCORDA/VF4I94/FDSVYC","hdl:21.15109/CONCORDA/VF4I94/8QVBV6","hdl:21.15109/CONCORDA/VF4I94/UAWL0Q","hdl:21.15109/CONCORDA/VF4I94/A4MCMK","hdl:21.15109/CONCORDA/VF4I94/MMWEKD","hdl:21.15109/CONCORDA/VF4I94/IZ4PPM","hdl:21.15109/CONCORDA/VF4I94/5AEQRD","hdl:21.15109/CONCORDA/VF4I94/E0OCWY","hdl:21.15109/CONCORDA/VF4I94/N1JO0U","hdl:21.15109/CONCORDA/VF4I94/VBKO7M","hdl:21.15109/CONCORDA/VF4I94/ZE3QWD","hdl:21.15109/CONCORDA/VF4I94/FI7EGA","hdl:21.15109/CONCORDA/VF4I94/GEYGI1","hdl:21.15109/CONCORDA/VF4I94/BXIPZN","hdl:21.15109/CONCORDA/VF4I94/ZZCX9O","hdl:21.15109/CONCORDA/VF4I94/URBF2X","hdl:21.15109/CONCORDA/VF4I94/PXLGEE","hdl:21.15109/CONCORDA/VF4I94/0XJXEG","hdl:21.15109/CONCORDA/VF4I94/NMTLPJ","hdl:21.15109/CONCORDA/VF4I94/KK09W2","hdl:21.15109/CONCORDA/VF4I94/OLXIBQ","hdl:21.15109/CONCORDA/VF4I94/W1TFJO","hdl:21.15109/CONCORDA/VF4I94/GLLODU","hdl:21.15109/CONCORDA/VF4I94/PV5G93","hdl:21.15109/CONCORDA/VF4I94/Y0GXRI","hdl:21.15109/CONCORDA/VF4I94/C7IYEX","hdl:21.15109/CONCORDA/VF4I94/7WOFNF","hdl:21.15109/CONCORDA/VF4I94/7H6LG2","hdl:21.15109/CONCORDA/VF4I94/QSFNDR","hdl:21.15109/CONCORDA/VF4I94/XHAXJY","hdl:21.15109/CONCORDA/VF4I94/AGVEHR","hdl:21.15109/CONCORDA/VF4I94/CEC9I7","hdl:21.15109/CONCORDA/VF4I94/MZWNFU","hdl:21.15109/CONCORDA/VF4I94/CDZBYT","hdl:21.15109/CONCORDA/VF4I94/10IT08","hdl:21.15109/CONCORDA/VF4I94/VD0JTJ","hdl:21.15109/CONCORDA/VF4I94/GISSV4","hdl:21.15109/CONCORDA/VF4I94/BG32IB","hdl:21.15109/CONCORDA/VF4I94/WDFJ8G","hdl:21.15109/CONCORDA/VF4I94/ILKYCY","hdl:21.15109/CONCORDA/VF4I94/EHLD7R","hdl:21.15109/CONCORDA/VF4I94/GW1XMA","hdl:21.15109/CONCORDA/VF4I94/208SCB","hdl:21.15109/CONCORDA/VF4I94/UJYRFK","hdl:21.15109/CONCORDA/VF4I94/NMKNAD","hdl:21.15109/CONCORDA/VF4I94/99O8KH","hdl:21.15109/CONCORDA/VF4I94/40CWQR","hdl:21.15109/CONCORDA/VF4I94/6RPN3N","hdl:21.15109/CONCORDA/VF4I94/JLFJCS","hdl:21.15109/CONCORDA/VF4I94/8FJ1OO","hdl:21.15109/CONCORDA/VF4I94/Z5HBQF","hdl:21.15109/CONCORDA/VF4I94/RNUG5I","hdl:21.15109/CONCORDA/VF4I94/O47XZ1","hdl:21.15109/CONCORDA/VF4I94/JO9JIH","hdl:21.15109/CONCORDA/VF4I94/DGLXJF","hdl:21.15109/CONCORDA/VF4I94/GEZ68H","hdl:21.15109/CONCORDA/VF4I94/8GJOGC","hdl:21.15109/CONCORDA/VF4I94/DQP4OO"]},"@context":{"author":"http://purl.org/dc/terms/creator","authorAffiliation":"https://dataverse.org/schema/citation/authorAffiliation","authorIdentifier":"http://purl.org/spar/datacite/AgentIdentifier","authorIdentifierScheme":"http://purl.org/spar/datacite/AgentIdentifierScheme","authorName":"https://dataverse.org/schema/citation/authorName","datasetContact":"https://dataverse.org/schema/citation/datasetContact","datasetContactAffiliation":"https://dataverse.org/schema/citation/datasetContactAffiliation","datasetContactEmail":"https://dataverse.org/schema/citation/datasetContactEmail","datasetContactName":"https://dataverse.org/schema/citation/datasetContactName","dateOfDeposit":"http://purl.org/dc/terms/dateSubmitted","dcterms":"http://purl.org/dc/terms/","depositor":"https://dataverse.org/schema/citation/depositor","dsDescription":"https://dataverse.org/schema/citation/dsDescription","dsDescriptionDate":"https://dataverse.org/schema/citation/dsDescriptionDate","dsDescriptionValue":"https://dataverse.org/schema/citation/dsDescriptionValue","dvcore":"https://dataverse.org/schema/core#","grantNumber":"https://schema.org/sponsor","grantNumberAgency":"https://dataverse.org/schema/citation/grantNumberAgency","grantNumberValue":"https://dataverse.org/schema/citation/grantNumberValue","keyword":"https://dataverse.org/schema/citation/keyword","keywordValue":"https://dataverse.org/schema/citation/keywordValue","keywordVocabulary":"https://dataverse.org/schema/citation/keywordVocabulary","language":"http://purl.org/dc/terms/language","ore":"http://www.openarchives.org/ore/terms/","publication":"http://purl.org/dc/terms/isReferencedBy","publicationCitation":"http://purl.org/dc/terms/bibliographicCitation","publicationIDNumber":"http://purl.org/spar/datacite/ResourceIdentifier","publicationIDType":"http://purl.org/spar/datacite/ResourceIdentifierScheme","publicationURL":"https://schema.org/distribution","schema":"http://schema.org/","software":"https://www.w3.org/TR/prov-o/#wasGeneratedBy","softwareName":"https://dataverse.org/schema/citation/softwareName","softwareVersion":"https://dataverse.org/schema/citation/softwareVersion","subject":"http://purl.org/dc/terms/subject","title":"http://purl.org/dc/terms/title"}}