Empirical valence bond model of an SN2 reaction in polar and nonpolar solvents

The Journal of Chemical Physics ◽

10.1063/1.2970083 ◽

2008 ◽

Vol 129 (7) ◽

pp. 074508 ◽

Author(s):

Ilan Benjamin

Keyword(s):

Valence Bond ◽

Nonpolar Solvents ◽

Empirical Valence Bond ◽

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A theoretical study on excited state double proton transfer reaction of a 7-azaindole dimer: an ab initio potential energy surface and its empirical valence bond model

Physical Chemistry Chemical Physics ◽

10.1039/c1cp20420c ◽

2011 ◽

Vol 13 (23) ◽

pp. 11118 ◽

Author(s):

Kohei Ando ◽

Shigehiko Hayashi ◽

Shigeki Kato

Keyword(s):

Excited State ◽

Potential Energy ◽

Transfer Reaction ◽

Energy Surface ◽

Theoretical Study ◽

Valence Bond ◽

Proton Transfer Reaction ◽

Empirical Valence Bond ◽

Double Proton Transfer

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An Improved Multistate Empirical Valence Bond Model for Aqueous Proton Solvation and Transport

The Journal of Physical Chemistry B ◽

10.1021/jp8036318 ◽

2008 ◽

Vol 112 (23) ◽

pp. 7146-7146 ◽

Author(s):

Yujie Wu ◽

Hanning Chen ◽

Feng Wang ◽

Francesco Paesani ◽

Gregory A. Voth

Keyword(s):

Valence Bond ◽

Empirical Valence Bond ◽

Proton Solvation

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A Multi-State Empirical Valence Bond Model for Weak Acid Dissociation in Aqueous Solution†

The Journal of Physical Chemistry A ◽

10.1021/jp0038207 ◽

2001 ◽

Vol 105 (12) ◽

pp. 2814-2823 ◽

Author(s):

Martin Čuma ◽

Udo W. Schmitt ◽

Gregory A. Voth

Keyword(s):

Aqueous Solution ◽

Valence Bond ◽

Weak Acid ◽

Acid Dissociation ◽

Empirical Valence Bond ◽

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An Improved Multistate Empirical Valence Bond Model for Aqueous Proton Solvation and Transport†

The Journal of Physical Chemistry B ◽

10.1021/jp076658h ◽

2008 ◽

Vol 112 (2) ◽

pp. 467-482 ◽

Author(s):

Yujie Wu ◽

Hanning Chen ◽

Feng Wang ◽

Francesco Paesani ◽

Gregory A. Voth

Keyword(s):

Valence Bond ◽

Empirical Valence Bond ◽

Proton Solvation

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Hydronium Behavior at the Air–Water Interface with a Polarizable Multistate Empirical Valence Bond Model

The Journal of Physical Chemistry C ◽

10.1021/jp209167w ◽

2012 ◽

Vol 116 (6) ◽

pp. 4026-4038 ◽

Author(s):

Collin D. Wick

Keyword(s):

Valence Bond ◽

Water Interface ◽

Empirical Valence Bond ◽

Air Water Interface

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An extended empirical valence bond model for describing proton transfer in H+(H2O)n clusters and liquid water

Chemical Physics Letters ◽

10.1016/s0009-2614(97)01365-1 ◽

1998 ◽

Vol 284 (1-2) ◽

pp. 71-77 ◽

Author(s):

Rodolphe Vuilleumier ◽

Daniel Borgis

Keyword(s):

Proton Transfer ◽

Liquid Water ◽

Valence Bond ◽

Empirical Valence Bond ◽

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A multi-state empirical valence bond model for acid–base chemistry in aqueous solution

Chemical Physics ◽

10.1016/s0301-0104(00)00071-9 ◽

2000 ◽

Vol 258 (2-3) ◽

pp. 187-199 ◽

Author(s):

Martin Čuma ◽

Udo W. Schmitt ◽

Gregory A. Voth

Keyword(s):

Aqueous Solution ◽

Valence Bond ◽

Acid Base ◽

Empirical Valence Bond ◽

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An Extended Empirical Valence Bond Model for Describing Proton Mobility in Water

Israel Journal of Chemistry ◽

10.1002/ijch.199900051 ◽

1999 ◽

Vol 39 (3-4) ◽

pp. 457-467 ◽

Author(s):

Rodolphe Vuilleumier ◽

Daniel Borgis

Keyword(s):

Valence Bond ◽

Proton Mobility ◽

Empirical Valence Bond ◽

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Multistate Empirical Valence Bond Model for Proton Transport in Water

The Journal of Physical Chemistry B ◽

10.1021/jp9818131 ◽

1998 ◽

Vol 102 (29) ◽

pp. 5547-5551 ◽

Author(s):

Udo W. Schmitt ◽

Gregory A. Voth

Keyword(s):

Proton Transport ◽

Valence Bond ◽

Empirical Valence Bond ◽

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Ab Initio and Empirical Valence Bond Model Studies of Proton Transfer in Hydrogen-bonded System in the Bulk and at Interfaces

ECS Meeting Abstracts ◽

10.1149/ma2006-01/36/1229 ◽

2006 ◽

Keyword(s):

Proton Transfer ◽

Ab Initio ◽

Valence Bond ◽

Model Studies ◽

Empirical Valence Bond ◽

Hydrogen Bonded

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