(Q45097738)

9 December 2017

On the performance of molecular polarization methods. I. Water and carbon tetrachloride close to a point charge (English)

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9 December 2017

1

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9 December 2017

3

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9 December 2017

Michael Probst

2

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PubMed ID

15473807

9 December 2017

language of work or name

English

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publication date

1 October 2004

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Journal of Chemical Physics

9 December 2017

17

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based on heuristic

inferred from page(s)

published in

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9 December 2017

121

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9 December 2017

15

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9 December 2017

7362-7378

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9 December 2017

Polarizable force fields

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CHARMM fluctuating charge force field for proteins: I parameterization and application to bulk organic liquid simulations.

21 January 2018

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Ion solvation thermodynamics from simulation with a polarizable force field

21 January 2018

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Many-body effects in intermolecular forces

21 January 2018

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Modeling induced polarization with classical Drude oscillators: Theory and molecular dynamics simulation algorithm

21 January 2018

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A computationally inexpensive modification of the point dipole electrostatic polarization model for molecular simulations

21 January 2018

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The missing term in effective pair potentials

21 January 2018

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Comparison of simple potential functions for simulating liquid water

21 January 2018

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Many-body potentials for aqueous Li(+), Na(+), Mg(2+), and Al(3+): comparison of effective three-body potentials and polarizable models

21 January 2018

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Development of a polarizable force field for proteins via ab initio quantum chemistry: first generation model and gas phase tests

21 January 2018

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Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

21 January 2018

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Density-functional exchange-energy approximation with correct asymptotic behavior

21 January 2018

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Density-functional thermochemistry. III. The role of exact exchange

21 January 2018

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Generalized Gradient Approximation Made Simple

21 January 2018

1 reference

Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18

21 January 2018

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Development of a simple, self-consistent polarizable model for liquid water

21 January 2018

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Cooperative effects in simulated water

21 January 2018

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21 January 2018

Identifiers

DOI

10.1063/1.1791637

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9 December 2017

1 reference

PubMed ID

15473807