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Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields.

Authors :
Behara, Pavan Kumar
Jang, Hyesu
Horton, Joshua T.
Gokey, Trevor
Dotson, David L.
Boothroyd, Simon
Bayly, Christopher I.
Cole, Daniel J.
Wang, Lee-Ping
Mobley, David L.
Source :
Journal of Physical Chemistry B; 8/15/2024, Vol. 128 Issue 32, p7888-7902, 15p
Publication Year :
2024

Details

Language :
English
ISSN :
15206106
Volume :
128
Issue :
32
Database :
Supplemental Index
Journal :
Journal of Physical Chemistry B
Publication Type :
Academic Journal
Accession number :
179102529
Full Text :
https://doi.org/10.1021/acs.jpcb.4c03167