Molecular Structures and Rotational Potential Energy Surfaces of E and Z Geometrical Isomers of Propionaldehyde Oxime:  ab Initio and DFT Studies

1997 ◽  
Vol 101 (15) ◽  
pp. 2873-2878 ◽  
Author(s):  
Ponmalai G. Kolandaivel ◽  
Nobuhiko Kuze ◽  
Takeshi Sakaizumi ◽  
Osamu Ohashi ◽  
Kinya Iijima
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Molecular Structures ◽  
Dft Studies ◽  
Geometrical Isomers ◽  
Energy Surfaces ◽  
Ab Initio And Dft

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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