Liquid Hydrogen Fluoride with an Excess Proton:  Ab Initio Molecular Dynamics Study of a Superacid

1999 ◽  
Vol 121 (48) ◽  
pp. 11251-11252 ◽  
Author(s):  
Dongsup Kim ◽  
Michael L. Klein
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Hydrogen Fluoride ◽  
Liquid Hydrogen ◽  
Ab Initio Molecular Dynamics

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

Structural and Spectral Properties of Aqueous Hydrogen Fluoride Studied Using ab Initio Molecular Dynamics

2002 ◽  
Vol 106 (43) ◽  
pp. 11315-11322 ◽  
Author(s):  
Atte J. Sillanpää ◽  
Christian Simon ◽  
Michael L. Klein ◽  
Kari Laasonen
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Hydrogen Fluoride ◽  
Spectral Properties ◽  
Ab Initio Molecular Dynamics

Ab initio molecular dynamics of liquid hydrogen chloride

2005 ◽  
Vol 122 (11) ◽  
pp. 114512 ◽  
Author(s):  
Vincent Dubois ◽  
Alfredo Pasquarello
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Hydrogen Chloride ◽  
Liquid Hydrogen ◽  
Ab Initio Molecular Dynamics
Sign in / Sign up

Export Citation Format

Share Document