(Q57402451)

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Inclusion of nonequilibrium continuum solvation effects in variational transition state theory

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Inclusion of nonequilibrium continuum solvation effects in variational transition state theory (English)

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Donald G. Truhlar

1

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Gregory K. Schenter

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2

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Bruce C. Garrett

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3

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language of work or name

English

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publication date

April 1993

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number of pages

15

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Journal of Chemical Physics

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volume

98

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issue

7

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page(s)

5756-5770

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Electrostatic Free Energy and Other Properties of States Having Nonequilibrium Polarization. I

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https://api.crossref.org/works/10.1063%2F1.464868

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21 January 2018

Criterion of minimum state density in the transition state theory of bimolecular reactions

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21 January 2018

On the Theory of Oxidation‐Reduction Reactions Involving Electron Transfer. I

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https://api.crossref.org/works/10.1063%2F1.464868

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21 January 2018

Generalized transition state theory. Quantum effects for collinear reactions of hydrogen molecules and isotopically substituted hydrogen molecules

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https://api.crossref.org/works/10.1063%2F1.464868

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21 January 2018

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

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https://api.crossref.org/works/10.1063%2F1.464868

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21 January 2018

A six-body potential energy surface for the SN2 reaction Cl-(g) + CH3Cl(g) and a variational transition-state-theory calculation of the rate constant

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https://api.crossref.org/works/10.1063%2F1.464868

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21 January 2018

Electron transfers in chemistry and biology

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https://api.crossref.org/works/10.1063%2F1.464868

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21 January 2018

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DOI

10.1063/1.464868

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(Q57402451)

Inclusion of nonequilibrium continuum solvation effects in variational transition state theory

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