Accurate Molecular Polarizabilities Based on Continuum Electrostatics.
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Toward Automated Benchmarking of Atomistic Force Fields: Neat Liquid Densities and Static Dielectric Constants from the ThermoML Data ArchiveA finite field method for calculating molecular polarizability tensors for arbitrary multipole rankNumerical study on the partitioning of the molecular polarizability into fluctuating charge and induced atomic dipole contributions.Classical electrostatics for biomolecular simulations.Polarization effects in molecular mechanical force fieldsUsing electronic polarization from the internal continuum (EPIC) for intermolecular interactionsMolecule-specific determination of atomic polarizabilities with the polarizable atomic multipole model.
P2860
Q27301284-8F5A595E-3A78-44D4-A549-6060EA920832Q35243334-5FAF7F1F-7D26-4317-A48F-9E1C7F159952Q35906422-6CA7D558-224F-400E-84F3-10FC89121804Q37626128-61F3052C-D5FC-4EC0-ACE1-698DB46952A4Q39600496-EDE2EC01-4FDB-4E78-B397-CB24618449BDQ40512799-C8DED8AB-FA67-4AB7-A301-7052BB76950EQ46037500-E235418A-4547-4E54-B227-C6A3136CE73F
P2860
Accurate Molecular Polarizabilities Based on Continuum Electrostatics.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年論文
@yue
2008年論文
@zh-hant
2008年論文
@zh-hk
2008年論文
@zh-mo
2008年論文
@zh-tw
2008年论文
@wuu
2008年论文
@zh
2008年论文
@zh-cn
name
Accurate Molecular Polarizabilities Based on Continuum Electrostatics.
@en
type
label
Accurate Molecular Polarizabilities Based on Continuum Electrostatics.
@en
prefLabel
Accurate Molecular Polarizabilities Based on Continuum Electrostatics.
@en
P2093
P2860
P356
P1476
Accurate Molecular Polarizabilities Based on Continuum Electrostatics.
@en
P2093
Anthony Nicholls
Benoît Roux
Christopher I Bayly
Jean-François Truchon
Radu I Iftimie
P2860
P304
P356
10.1021/CT800123C
P577
2008-09-01T00:00:00Z