Quantum study on the electrocyclic reactions of CH2CHCHCHX (X==H, F, Cl)

International Journal of Quantum Chemistry

Volumn 100, Issue 3, 2004, Pages 288-292

  Deng, Ping ^a   Lai Cai, L I ^a,b   Tian, A N Min ^b   Wong, Ning Bew ^c  

^a SICHUAN NORMAL UNIVERSITY   (China)

^b SICHUAN UNIVERSITY   (China)

^c CITY UNIVERSITY OF HONG KONG   (Hong Kong)

Author keywords

3 butadiene; Cis 1; Density functional theory; Monohalogen butadiene; Transition states

Indexed keywords

HYDROGEN BONDS; MOLECULAR VIBRATIONS; PHOTOCHEMICAL REACTIONS; PROBABILITY DENSITY FUNCTION; REACTION KINETICS; THERMOANALYSIS;

DENSITY FUNCTIONAL THEORY; ELECTROCYCLIC PROCESS; ENERGY BARRIERS; MONOHALOGEN-BUTADIENE;

QUANTUM THEORY;

EID: 6344280614     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20159     Document Type: Article

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