(Q57402503)

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Molecular modeling of solvation. Cl−(D2O)

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title

Molecular modeling of solvation. Cl−(D2O) (English)

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Donald G. Truhlar

3

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author name string

Xin Gui Zhao

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1

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Angels Gonzalez‐Lafont

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2

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Rozeanne Steckler

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4

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language of work or name

English

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publication date

15 April 1991

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published in

Journal of Chemical Physics

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volume

94

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issue

8

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page(s)

5544-5558

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cites work

Effect of nonequilibrium solvation on chemical reaction rates. Variational transition-state-theory studies of the microsolvated reaction Cl-(H2O)n + CH3Cl

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https://api.crossref.org/works/10.1063%2F1.460490

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21 January 2018

Solvent and secondary kinetic isotope effects for the microhydrated SN2 reaction of Cl-(H2O)n with CH3Cl

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https://api.crossref.org/works/10.1063%2F1.460490

retrieved

21 January 2018

A precise solution of the rotation bending Schrödinger equation for a triatomic molecule with application to the water molecule

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https://api.crossref.org/works/10.1063%2F1.460490

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21 January 2018

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

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reference URL

https://api.crossref.org/works/10.1063%2F1.460490

retrieved

21 January 2018

Global potential‐energy surfaces for H2Cl

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21 January 2018

Optimization of parameters for semiempirical methods II. Applications

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21 January 2018

Ab initio prediction of fundamental, overtone and combination band infrared intensities

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https://api.crossref.org/works/10.1063%2F1.460490

retrieved

21 January 2018

MOPAC: a semiempirical molecular orbital program

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reference URL

https://api.crossref.org/works/10.1063%2F1.460490

retrieved

21 January 2018

Identifiers

DOI

10.1063/1.460490

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(Q57402503)

Molecular modeling of solvation. Cl−(D2O)

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