A Force Field for Guanidinium-Based Ionic Liquids That Utilizes the Electron Charge Distribution of the Actual Liquid: A Molecular Simulation Study

2008 ◽  
Vol 112 (35) ◽  
pp. 10989-11004 ◽  
Author(s):  
Marco Klähn ◽  
Abirami Seduraman ◽  
Ping Wu
Keyword(s):  
Ionic Liquids ◽  
Force Field ◽  
Molecular Simulation ◽  
Charge Distribution ◽  
Simulation Study ◽  
Electron Charge ◽  
Electron Charge Distribution

Electronic structure of Ni-Cu alloys: Thed-electron charge distribution

1998 ◽  
Vol 57 (24) ◽  
pp. 15204-15210 ◽  
Author(s):  
H. H. Hsieh ◽  
Y. K. Chang ◽  
W. F. Pong ◽  
J. Y. Pieh ◽  
P. K. Tseng ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Charge Distribution ◽  
Electron Charge ◽  
Cu Alloys ◽  
Electron Charge Distribution

Manifestation of nonuniformity in the electron charge distribution in H 2 + molecular ions colliding with each other

2007 ◽  
Vol 104 (2) ◽  
pp. 201-209
Author(s):  
G. V. Sholin ◽  
A. E. Trenin ◽  
V. A. Belyaev ◽  
M. M. Dubrovin ◽  
A. A. Terent’ev
Keyword(s):  
Charge Distribution ◽  
Molecular Ions ◽  
Electron Charge ◽  
Electron Charge Distribution

Electron Charge Distribution in Liquid Metals*

1988 ◽  
Vol 157 (Part_2) ◽  
pp. 459-463 ◽  
Author(s):  
Shin'ichi Takeda ◽  
Shūzi Harada ◽  
Shigeru Tamaki ◽  
Yoshio Waseda
Keyword(s):  
Charge Distribution ◽  
Liquid Metals ◽  
Electron Charge ◽  
Electron Charge Distribution

A Force Field for Molecular Simulation of Tetrabutylphosphonium Amino Acid Ionic Liquids

2007 ◽  
Vol 111 (25) ◽  
pp. 7078-7084 ◽  
Author(s):  
Guohui Zhou ◽  
Xiaomin Liu ◽  
Suojiang Zhang ◽  
Guangren Yu ◽  
Hongyan He
Keyword(s):  
Ionic Liquids ◽  
Amino Acid ◽  
Force Field ◽  
Molecular Simulation
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