P-M-Cle-1 Theoretical Calculation About the Valence and Rydberg Excited States of Hydrogen Cyanide

Monday, June 3, 2013
Clements (Galt House Hotel)
Butong Li, Shanxi Normal University, China.
The valence and rydberg excited states of HCN molecule are explored systematically for the first time by using the completed active space self-consistent field (CASSCF) method.

Extended Abstracts:

See more of: Poster Session: Fundamentals of Catalysis I
See more of: Fundamentals of Catalysis
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