A multistate empirical valence bond model for solvation and transport simulations of OH− in aqueous solutions

2009 ◽  
Vol 11 (41) ◽  
pp. 9420 ◽  
Author(s):  
Ivan S. Ufimtsev ◽  
Andrey G. Kalinichev ◽  
Todd J. Martinez ◽  
R. James Kirkpatrick
Keyword(s):  
Aqueous Solutions ◽  
Valence Bond ◽  
Empirical Valence Bond ◽  
Bond Model

A modified two-state empirical valence bond model for proton transport in aqueous solutions

2015 ◽  
Vol 143 (1) ◽  
pp. 014501 ◽  
Author(s):  
Takuya Mabuchi ◽  
Akinori Fukushima ◽  
Takashi Tokumasu
Keyword(s):  
Aqueous Solutions ◽  
Proton Transport ◽  
Valence Bond ◽  
Empirical Valence Bond ◽  
Bond Model

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

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 ◽  
Bond Model ◽  
Proton Solvation

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

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 ◽  
Bond Model ◽  
Proton Solvation

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

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 ◽  
Bond Model
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