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Cl-Loss and H-Loss Dissociations in Low-Lying Electronic States of the CH 3 Cl + Ion Studied Using Multiconfiguration Second-Order Perturbation Theory

โœ Scribed by Xi, Hong-Wei; Huang, Ming-Bao; Chen, Bo-Zhen; Li, Wen-Zuo

Book ID
126334431
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
83 KB
Volume
109
Category
Article
ISSN
1089-5639

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O-loss photodissociation of the OCS+ ion
O-loss photodissociation of the OCS+ ion in the low-lying electronic states studied using multiconfiguration second-order perturbation theory
โœ Hua Dong; Bo-Zhen Chen; Ming-Bao Huang; Hai-Bo Chang ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 453 KB

## Abstract The CASPT2 potential energy curves (PECs) for Oโ€loss dissociation from the X^2^ฮ , A^2^ฮ , B^2^ฮฃ^+^, C^2^ฮฃ^+^, 1^4^ฮฃ^โˆ’^, 1^2^ฮฃ^โˆ’^, and 1^4^ฮ  states of the OCS^+^ ion were calculated. The PEC calculations indicate that X^2^ฮ , 1^4^ฮฃ^โˆ’^, 1^2^ฮฃ^โˆ’^, and 1^4^ฮ  correlate with CS^+^(X^2^ฮฃ^+^) + O