Local atomic structure and chemical bonding in liquid Te: An ab initio molecular-dynamics simulation

2008 ◽  
Vol 458 (1-3) ◽  
pp. 101-107 ◽  
Author(s):  
G. Zhao ◽  
C.S. Liu ◽  
Z.G. Zhu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Ab Initio ◽  
Atomic Structure ◽  
Chemical Bonding ◽  
Local Atomic Structure ◽  
Dynamics Simulation ◽  
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
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