Off-Center Gaussian Functions, an Alternative Atomic...

Journal of Chemical Theory and Computation 2013 / 12 Vol. 9; Iss. 12

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, Pavel
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Volume:
9
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct400692b
Date:
December, 2013
File:
PDF, 1.90 MB
english, 2013
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