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Density functional theory
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1por Stortz, Carlos Arturo“... that are reasonably similar to each other, whereas the older parameterizations for Amber, charmm or OPLS were more...”
Publicado 2009
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2“... that are reasonably similar to each other, whereas the older parameterizations for Amber, charmm or OPLS were more...”
JOUR -
3por Morzan, Uriel Nicolas“... employing Gaussian basis functions, and incorporates the Amber force-field in the QM-MM treatment. The most...”
Publicado 2014
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4“... employing Gaussian basis functions, and incorporates the Amber force-field in the QM-MM treatment. The most...”
JOUR