Quantum mechanical force field for water with explicit electronic polarization.
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Quantum mechanical force field for hydrogen fluoride with explicit electronic polarizationExplicit polarization: a quantum mechanical framework for developing next generation force fields.Recent advances toward a general purpose linear-scaling quantum force fieldMolecular simulation of water and hydration effects in different environments: challenges and developments for DFTB based modelsMultipolar Ewald methods, 2: applications using a quantum mechanical force fieldMultipolar Ewald methods, 1: theory, accuracy, and performanceSemiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications.Parametrization of an Orbital-Based Linear-Scaling Quantum Force Field for Noncovalent Interactions.Quantum mechanical force fields for condensed phase molecular simulations.Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions.QM/MM through the 1990s: The First Twenty Years of Method Development and Applications.Ultrafast pump-probe and 2DIR anisotropy and temperature-dependent dynamics of liquid water within the E3B model.
P2860
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P2860
Quantum mechanical force field for water with explicit electronic polarization.
description
article científic
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article scientifique
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articolo scientifico
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artigo científico
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bilimsel makale
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scientific article published on August 2013
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vedecký článok
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vetenskaplig artikel
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videnskabelig artikel
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vědecký článek
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name
Quantum mechanical force field for water with explicit electronic polarization.
@en
Quantum mechanical force field for water with explicit electronic polarization.
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type
label
Quantum mechanical force field for water with explicit electronic polarization.
@en
Quantum mechanical force field for water with explicit electronic polarization.
@nl
prefLabel
Quantum mechanical force field for water with explicit electronic polarization.
@en
Quantum mechanical force field for water with explicit electronic polarization.
@nl
P2093
P2860
P356
P1476
Quantum mechanical force field for water with explicit electronic polarization.
@en
P2093
Jaebeom Han
Michael J M Mazack
Peng Zhang
P2860
P304
P356
10.1063/1.4816280
P407
P577
2013-08-01T00:00:00Z