Ab Initio Study on the Equilibrium Structure and XCN Bending Energy Levels of Halofulminates:  BrCNO

1999 ◽  
Vol 103 (30) ◽  
pp. 6017-6022 ◽  
Author(s):  
Jacek Koput
Keyword(s):  
Ab Initio ◽  
Energy Levels ◽  
Equilibrium Structure ◽  
Ab Initio Study ◽  
Bending 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

An ab initio study of diazirine: equilibrium structure and molecular properties

2004 ◽  
Vol 695-696 ◽  
pp. 203-210 ◽  
Author(s):  
Cristina Puzzarini ◽  
Alberto Gambi ◽  
Gabriele Cazzoli
Keyword(s):  
Ab Initio ◽  
Equilibrium Structure ◽  
Molecular Properties ◽  
Ab Initio Study
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