Molecular vibrations of methane molecules in the structure I clathrate hydrate from ab initio molecular dynamics simulation

2012 ◽  
Vol 136 (4) ◽  
pp. 044508 ◽  
Author(s):  
Masaki Hiratsuka ◽  
Ryo Ohmura ◽  
Amadeu K. Sum ◽  
Kenji Yasuoka
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Ab Initio ◽  
Clathrate Hydrate ◽  
Dynamics Simulation ◽  
Ab Initio Molecular Dynamics ◽  
Molecular Vibrations

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
Sign in / Sign up

Export Citation Format

Share Document