On the performance of molecular polarization methods. II. Water and carbon tetrachloride close to a cation.
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Modeling Electronic Polarizability Changes in the Course of a Magnesium Ion Water Ligand Exchange ProcessGaussian Multipole Model (GMM)Improved parameterization of interatomic potentials for rare gas dimers with density-based energy decomposition analysis.Atomic forces for geometry-dependent point multipole and gaussian multipole models.Polarizable molecular dynamics simulation of Zn(II) in water using the AMOEBA force fieldPolarizable Atomic Multipole-based Molecular Mechanics for Organic MoleculesGaussian induced dipole polarization model.Classical electrostatics for biomolecular simulations.Molecular modeling and dynamics studies with explicit inclusion of electronic polarizability. Theory and applicationsThe polarizable point dipoles method with electrostatic damping: implementation on a model system.Polarization effects in molecular mechanical force fieldsModeling the hydration of mono-atomic anions from the gas phase to the bulk phase: the case of the halide ions F-, Cl-, and Br-.Shortcomings of the standard Lennard-Jones dispersion term in water models, studied with force matching.Assessing many-body contributions to intermolecular interactions of the AMOEBA force field using energy decomposition analysis of electronic structure calculations.Molecule-specific determination of atomic polarizabilities with the polarizable atomic multipole model.A transferable ab initio based force field for aqueous ions.Ab initio based polarizable force field parametrization.AMOEBA force field parameterization of the azabenzenes
P2860
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P2860
On the performance of molecular polarization methods. II. Water and carbon tetrachloride close to a cation.
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2005 nî lūn-bûn
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2005年の論文
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name
On the performance of molecula ...... trachloride close to a cation.
@en
On the performance of molecula ...... trachloride close to a cation.
@nl
type
label
On the performance of molecula ...... trachloride close to a cation.
@en
On the performance of molecula ...... trachloride close to a cation.
@nl
prefLabel
On the performance of molecula ...... trachloride close to a cation.
@en
On the performance of molecula ...... trachloride close to a cation.
@nl
P2860
P356
P1476
On the performance of molecula ...... trachloride close to a cation.
@en
P2093
Michael Probst
P2860
P304
P356
10.1063/1.2075107
P407
P577
2005-10-01T00:00:00Z