Ab Initio Molecular Dynamics Simulation of a Water-Hydrogen Fluoride Equimolar Mixture

ChemPhysChem ◽  
2005 ◽  
Vol 6 (1) ◽  
pp. 148-153 ◽  
Author(s):  
Christian Simon ◽  
Michael L. Klein
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Ab Initio ◽  
Hydrogen Fluoride ◽  
Dynamics Simulation ◽  
Equimolar Mixture ◽  
Ab Initio Molecular Dynamics ◽  
Water Hydrogen

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
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