(Q58099052)

English

Boundary element methods for dielectric cavity construction and integration

article published in 2003

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scholarly article

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title

Boundary element methods for dielectric cavity construction and integration (English)

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main subject

boundary element method

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author name string

Feiwu Chen

series ordinal

1

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Daniel M. Chipman

series ordinal

2

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language of work or name

English

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publication date

15 November 2003

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published in

Journal of Chemical Physics

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volume

119

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issue

19

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page(s)

10289-10297

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cites work

Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics

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21 January 2018

Comparison of solvent reaction field representations

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21 January 2018

Charge penetration in dielectric models of solvation

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reference URL

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21 January 2018

Volume polarization in reaction field theory

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reference URL

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21 January 2018

Polarizable dielectric model of solvation with inclusion of charge penetration effects

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21 January 2018

Computation of molecular electrostatics with boundary element methods

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21 January 2018

Implementation of solvent reaction fields for electronic structure

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21 January 2018

New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution

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21 January 2018

Boundary element solution of the linear Poisson-Boltzmann equation and a multipole method for the rapid calculation of forces on macromolecules in solution.

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21 January 2018

Accurate First Principles Calculation of Molecular Charge Distributions and Solvation Energies from Ab Initio Quantum Mechanics and Continuum Dielectric Theory

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21 January 2018

Semianalytical treatment of solvation for molecular mechanics and dynamics

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21 January 2018

General parameterized SCF model for free energies of solvation in aqueous solution

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21 January 2018

The interpretation of protein structures: Estimation of static accessibility

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Excited states and solvatochromic shifts within a nonequilibrium solvation approach:A new formulation of the integral equation formalism method at the selfconsistent field, configuration interaction, and multiconfiguration self-consistent field level

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Comment on “Reaction field treatment of charge penetration” [J. Chem. Phys. 112, 5558 (2000)]

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21 January 2018

Simulation of volume polarization in reaction field theory

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21 January 2018

Reaction field treatment of charge penetration

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21 January 2018

Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model

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21 January 2018

Energy correction to simulation of volume polarization in reaction field theory

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21 January 2018

A multiconfigurational self‐consistent reaction‐field method

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21 January 2018

Identifiers

DOI

10.1063/1.1615232

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(Q58099052)

Boundary element methods for dielectric cavity construction and integration

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