Off-Center Gaussian Functions, an Alternative Atomic Orbital Basis Set for Accurate Noncovalent Interaction Calculations of Large Systems
Melicherčík, Miroslav, Pitoňák, Michal, Kellö, Vladimír, Hobza, Pavel, Neogrády, PavelТом:
9
Мова:
english
Журнал:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct400692b
Date:
December, 2013
Файл:
PDF, 1.90 MB
english, 2013
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