An investigation on the reaction mechanism of the F2 + Cl2 → 2ClF using the B3LYP method

International Journal of Quantum Chemistry

Volumn 87, Issue 4, 2002, Pages 192-197

  Wang, Zun Yao ^a   Gong, Xue Dong ^a   Li, Jin Shan ^a   Xiao, He Ming ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

DFT method; Halogen; Reaction mechanism; Transition state

Indexed keywords

ATOMIZATION; CHLORINE; DISSOCIATION; ELECTRON ENERGY LEVELS; FLUORINE; OPTIMIZATION; PROBABILITY DENSITY FUNCTION;

BIOMOLECULAR REACTIONS; DISSOCIATION ENERGY; TRANSITION STATES;

REACTION KINETICS;

EID: 0037023356     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10011     Document Type: Article

References (34)