Short-Range Order in Liquid Aluminum Chloride:  Ab Initio Molecular Dynamics Simulations and Quantum-Chemical Calculations

2007 ◽  
Vol 111 (19) ◽  
pp. 5316-5321 ◽  
Author(s):  
A. L. L. East ◽  
J. Hafner
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Molecular Dynamics Simulations ◽  
Aluminum Chloride ◽  
Quantum Chemical ◽  
Short Range ◽  
Short Range Order ◽  
Liquid Aluminum ◽  
Ab Initio Molecular Dynamics ◽  
Dynamics Simulations

Ab Initio Molecular Dynamics Simulations of an Excited State of X-(H2O)3(X = Cl, I) Complex

2005 ◽  
Vol 109 (42) ◽  
pp. 9419-9423 ◽  
Author(s):  
M. Kołaski ◽  
Han Myoung Lee ◽  
Chaeho Pak ◽  
M. Dupuis ◽  
Kwang S. Kim
Keyword(s):  
Molecular Dynamics ◽  
Excited State ◽  
Ab Initio ◽  
Molecular Dynamics Simulations ◽  
Ab Initio Molecular Dynamics ◽  
Dynamics Simulations
Sign in / Sign up

Export Citation Format

Share Document