Theoretical studies of inorganic and organometallic reaction mechanisms. 7. Ab initio potential energy surfaces of carbonyl substitutions on six-coordinate trans-W(CO)4(NO)Cl and Re(CO)5Cl

1993 ◽  
Vol 115 (1) ◽  
pp. 327-336 ◽  
Author(s):  
Jun Song ◽  
Michael B. Hall
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Reaction Mechanisms ◽  
Potential Energy Surfaces ◽  
Theoretical Studies ◽  
Energy Surfaces

Theoretical studies of He(1S)+CH(X 2Π). I. Ab initio potential energy surfaces

1994 ◽  
Vol 100 (2) ◽  
pp. 1326-1337 ◽  
Author(s):  
Albert F. Wagner ◽  
Thom H. Dunning ◽  
Randall A. Kok
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Theoretical Studies ◽  
Energy Surfaces

scholarly journals Global ab initio potential energy surfaces for the O2(Σ3g−)+O2(Σ3g−) interaction

2010 ◽  
Vol 133 (12) ◽  
pp. 124311 ◽  
Author(s):  
Massimiliano Bartolomei ◽  
Estela Carmona-Novillo ◽  
Marta I. Hernández ◽  
José Campos-Martínez ◽  
Ramón Hernández-Lamoneda
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Energy Surfaces

Intermolecular potential energy surfaces and spectra of Ne–HCN complex from ab initio calculations

2001 ◽  
Vol 114 (2) ◽  
pp. 764 ◽  
Author(s):  
Garold Murdachaew ◽  
Alston J. Misquitta ◽  
Robert Bukowski ◽  
Krzysztof Szalewicz
Keyword(s):  
Potential Energy ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Intermolecular Potential ◽  
Energy Surfaces
Sign in / Sign up

Export Citation Format

Share Document