An ab initio calculation of the rotation and internal-rotation energy levels of the ethyl radical

1998 ◽  
Vol 282 (1) ◽  
pp. 49-53 ◽  
Author(s):  
Allan L.L. East ◽  
P.R. Bunker
Keyword(s):  
Ab Initio ◽  
Internal Rotation ◽  
Ab Initio Calculation ◽  
Energy Levels ◽  
Ethyl Radical ◽  
Rotation Energy

Ab initio study of the isomerization HNC → HCN. I. Ab initio calculation of the HNC ⇌ HCN potential surface and the corresponding energy levels

1983 ◽  
Vol 82 (3) ◽  
pp. 317-336 ◽  
Author(s):  
Miljenko Perić ◽  
Mirjana Mladenović ◽  
Sigrid D. Peyerimhoff ◽  
Robert J. Buenker
Keyword(s):  
Ab Initio ◽  
Ab Initio Calculation ◽  
Potential Surface ◽  
Energy Levels ◽  
Ab Initio Study
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