TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field.
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An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field Approaches.Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory.Mapping the Drude polarizable force field onto a multipole and induced dipole model.
P2860
TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field.
description
2016 nî lūn-bûn
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2016年の論文
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2016年学术文章
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2016年学术文章
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2016年学术文章
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2016年学术文章
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2016年学术文章
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2016年學術文章
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name
TINKTEP: A fully self-consiste ...... sed on the AMOEBA force field.
@en
TINKTEP: A fully self-consiste ...... sed on the AMOEBA force field.
@nl
type
label
TINKTEP: A fully self-consiste ...... sed on the AMOEBA force field.
@en
TINKTEP: A fully self-consiste ...... sed on the AMOEBA force field.
@nl
prefLabel
TINKTEP: A fully self-consiste ...... sed on the AMOEBA force field.
@en
TINKTEP: A fully self-consiste ...... sed on the AMOEBA force field.
@nl
P2093
P2860
P356
P1476
TINKTEP: A fully self-consiste ...... sed on the AMOEBA force field.
@en
P2093
Chris-Kriton Skylaris
Jay Ponder
Martin Head-Gordon
Teresa Head-Gordon
Yuezhi Mao
P2860
P304
P356
10.1063/1.4962909
P407
P577
2016-09-01T00:00:00Z