(Q58099159)

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Cavity size in reaction field theory

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Cavity size in reaction field theory (English)

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author name string

Chang-Guo Zhan

series ordinal

1

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Daniel M. Chipman

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2

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language of work or name

English

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publication date

22 December 1998

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published in

Journal of Chemical Physics

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volume

109

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issue

24

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page(s)

10543-10558

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cites work

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van der Waals Volumes and Radii

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

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Areas, volumes, packing and protein structure

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COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

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Volume polarization in reaction field theory

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Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

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Generalized born fragment charge model for solvation effects as a function of reaction coordinate

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Semianalytical treatment of solvation for molecular mechanics and dynamics

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

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Model for Aqueous Solvation Based on Class IV Atomic Charges and First Solvation Shell Effects

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Charge penetration in dielectric models of solvation

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The solvation reaction field for a hydrogen atom in a dielectric continuum

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Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions

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Identifiers

DOI

10.1063/1.477755

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(Q58099159)

Cavity size in reaction field theory

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