Ab Initio Molecular Dynamics Simulation of the Energy-Relaxation Process of the Protonated Water Dimer

2007 ◽  
Vol 111 (11) ◽  
pp. 2062-2066 ◽  
Author(s):  
Yusuke Yamauchi ◽  
Shiho Ozawa ◽  
Hiromi Nakai
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Ab Initio ◽  
Relaxation Process ◽  
Energy Relaxation ◽  
Water Dimer ◽  
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
Sign in / Sign up

Export Citation Format

Share Document