Vibrational Spectroscopy in Solution through Perturbative ab Initio Molecular Dynamics Simulations

2019 ◽  
Vol 15 (8) ◽  
pp. 4615-4622 ◽  
Author(s):  
Carlos Bistafa ◽  
Yukichi Kitamura ◽  
Marilia T. C. Martins-Costa ◽  
Masataka Nagaoka ◽  
Manuel F. Ruiz-López
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Molecular Dynamics Simulations ◽  
Vibrational Spectroscopy ◽  
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