An ab initio study of nitrous acid: geometries, force constants, fundamental frequencies, and potential surface for cis-trans isomerization

1991 ◽  
Vol 95 (1) ◽  
pp. 118-122 ◽  
Author(s):  
J. M. Coffin ◽  
Peter Pulay
Keyword(s):  
Ab Initio ◽  
Nitrous Acid ◽  
Potential Surface ◽  
Force Constants ◽  
Ab Initio Study ◽  
Fundamental Frequencies ◽  
Trans Isomerization

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

Ab initio study of the intermolecular potential surface of He–NH3

1999 ◽  
Vol 313 (1-2) ◽  
pp. 313-320 ◽  
Author(s):  
Zhiru Li ◽  
Arthur Chou ◽  
Fu-Ming Tao
Keyword(s):  
Ab Initio ◽  
Potential Surface ◽  
Intermolecular Potential ◽  
Ab Initio Study
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