Analytic Gradient for Density Functional Theory Based on...

Journal of Chemical Theory and Computation 2014 / 12 Vol. 10; Iss. 12

Analytic Gradient for Density Functional Theory Based on the Fragment Molecular Orbital Method

Brorsen, Kurt R., Zahariev, Federico, Nakata, Hiroya, Fedorov, Dmitri G., Gordon, Mark S.
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Volume:
10
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct500808p
Date:
December, 2014
File:
PDF, 1.08 MB
english, 2014
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