The photodissociation of N,N-dimethylformamide: A complete active space self-consistent field study

Journal of Chemical Physics

Volumn 117, Issue 20, 2002, Pages 9241-9247

  Liu, Dan ^a,b   Fang, Weihai ^a   Lin, Zhenyang ^b   Fu, Xiaoyuan ^a  

^a BEIJING NORMAL UNIVERSITY   (China)

^b HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ACTIVATION; CHEMICAL BONDS; COMPUTATIONAL METHODS; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; PHOTODISSOCIATION; POTENTIAL ENERGY; RAMAN SPECTROSCOPY; REACTION KINETICS; SURFACE PROPERTIES;

ACTIVE SPACE SELF-CONSISTENT FIELD STUDY; DIMETHYLFORMAMIDE; ELECTRONIC CONFIGURATIONS; EQUILIBRIUM GEOMETRIES; SURFACE INTERSECTIONS; TRANSITION STATE STRUCTURES;

ORGANIC COMPOUNDS;

EID: 0037159991     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1515313     Document Type: Article

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