Theoretical studies of the ozone molecule. I. Ab initio MCSCF/CI potential energy surfaces for the X 1A1 and a 2B2 states

1981 ◽  
Vol 74 (1) ◽  
pp. 595-607 ◽  
Author(s):  
C. Woodrow Wilson ◽  
Darrel G. Hopper
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Theoretical Studies ◽  
Ozone Molecule ◽  
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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
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