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171 to 180 of 1,183 Results
Comma Separated Values - 6.6 KB - MD5: 17538b33b667b5d7fe8f1f022b41dfe1
Libreoffice (Excel) of supporting data, .csv export
OpenOffice Spreadsheet - 46.1 KB - MD5: 98c1c2521e91c917a87fe422b3d09116
Libreoffice (Excel) of supporting data, original version
MS Excel Spreadsheet - 17.8 KB - MD5: 7605b6d51455b26a6fb4b87089079923
Libreoffice (Excel) of supporting data, .xlsx export
Gzip Archive - 103.0 MB - MD5: 36b90b65ef04a292369ffec34473eb6a
tar.gz archive of VASP vasprun.xml, OUTCAR, POSCAR files to generate p, q factors by the https://pypi.org/project/jahn-teller-dynamics/ code
Jun 19, 2025 - Wigner Research Centre for Physics
Pethes, Ildikó; Soczó, Bálint, 2025, "Comparison of water models for structure prediction", https://hdl.handle.net/21.15109/ARP/NDWPXO, ARP, V2
Topology files and simulation result datasets of the related publication. Describing the interactions of water molecules is one of the most common, yet critical, tasks in molecular dynamics simulations. Because of its unique properties, hundreds of attempts have been made to construct an ideal interaction potential model for water. In various studi...
application/vnd.shana.informed.formtemplate - 1.7 KB - MD5: 88f873c4fd02408be9297d9e07cb7921
application/vnd.shana.informed.formtemplate - 1.1 KB - MD5: ff4209c4f109d2463991bedf12e5f5a8
application/vnd.shana.informed.formtemplate - 1.8 KB - MD5: 5f7efd9dfd55ab64b47accbdb8f3f995
application/vnd.shana.informed.formtemplate - 1.3 KB - MD5: 565f0832c0c98c5157fd8a7dcc5de1a7
application/vnd.shana.informed.formtemplate - 2.1 KB - MD5: 9c027315eccbdd1347575193b3748d09
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