Energetics of proton transfer in liquid water. I. Ab initio study for origin of many-body interaction and potential energy surfaces

1994 ◽  
Vol 180 (2-3) ◽  
pp. 239-269 ◽  
Author(s):  
Tamiki Komatsuzaki ◽  
Iwao Ohmine
Keyword(s):  
Potential Energy ◽  
Proton Transfer ◽  
Ab Initio ◽  
Liquid Water ◽  
Potential Energy Surfaces ◽  
Ab Initio Study ◽  
Many Body ◽  
Body Interaction ◽  
Energy Surfaces

Ab Initio Study of the Potential Energy Surfaces for the Reaction C + CH → C2+ H

1998 ◽  
Vol 102 (11) ◽  
pp. 2009-2015 ◽  
Author(s):  
M. Boggio-Pasqua ◽  
Ph. Halvick ◽  
M.-T. Rayez ◽  
J.-C. Rayez ◽  
J.-M. Robbe
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Ab Initio Study ◽  
Energy Surfaces
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