Optimal scaling factors for CM1 and CM3 atomic charges in RM1-based aqueous simulations.
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Evaluation of CM5 Charges for Condensed-Phase Modeling.Quantum and Molecular Mechanical (QM/MM) Monte Carlo Techniques for Modeling Condensed-Phase Reactions.Application of a BOSS-Gaussian interface for QM/MM simulations of Henry and methyl transfer reactionsDetermination of partial molar volumes from free energy perturbation theory.
P2860
Optimal scaling factors for CM1 and CM3 atomic charges in RM1-based aqueous simulations.
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2011 nî lūn-bûn
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2011年の論文
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2011年学术文章
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2011年学术文章
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2011年学术文章
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2011年学术文章
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2011年學術文章
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Optimal scaling factors for CM1 and CM3 atomic charges in RM1-based aqueous simulations.
@en
Optimal scaling factors for CM1 and CM3 atomic charges in RM1-based aqueous simulations.
@nl
type
label
Optimal scaling factors for CM1 and CM3 atomic charges in RM1-based aqueous simulations.
@en
Optimal scaling factors for CM1 and CM3 atomic charges in RM1-based aqueous simulations.
@nl
prefLabel
Optimal scaling factors for CM1 and CM3 atomic charges in RM1-based aqueous simulations.
@en
Optimal scaling factors for CM1 and CM3 atomic charges in RM1-based aqueous simulations.
@nl
P2093
P2860
P356
P1476
Optimal scaling factors for CM1 and CM3 atomic charges in RM1-based aqueous simulations.
@en
P2093
Jonah Z Vilseck
Orlando Acevedo
Somisetti V Sambasivarao
P2860
P304
P356
10.1002/JCC.21863
P577
2011-07-05T00:00:00Z