High-rank quantum topological electrostatic potential: Molecular dynamics simulation of liquid hydrogen fluoride

2003 ◽  
Vol 119 (8) ◽  
pp. 4560-4566 ◽  
Author(s):  
S. Y. Liem ◽  
P. L. A. Popelier
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Hydrogen Fluoride ◽  
Electrostatic Potential ◽  
Liquid Hydrogen ◽  
High Rank ◽  
Dynamics Simulation

scholarly journals Ab initio molecular dynamics simulation of hydrogen fluoride at several thermodynamic states

2003 ◽  
Vol 118 (8) ◽  
pp. 3639-3645 ◽  
Author(s):  
Markus Kreitmeir ◽  
Helmut Bertagnolli ◽  
Jens Jørgen Mortensen ◽  
Michele Parrinello
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Ab Initio ◽  
Hydrogen Fluoride ◽  
Dynamics Simulation ◽  
Ab Initio Molecular Dynamics

Electrostatic potential gap at the interface between triethylamine and water phases studied by molecular dynamics simulation

2007 ◽  
Vol 448 (1-3) ◽  
pp. 70-74 ◽  
Author(s):  
Shinji Kajimoto ◽  
Noriyuki Yoshii ◽  
Jonathan Hobley ◽  
Hiroshi Fukumura ◽  
Susumu Okazaki
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Electrostatic Potential ◽  
Dynamics Simulation
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