Density functional study of the mechanisms and the potential energy surfaces of MCH2+ + H2 reactions. The case of cobalt and rhodium (M = Co, Rh)

Journal of Physical Chemistry A

Volumn 101, Issue 43, 1997, Pages 8085-8093

  Abashkin, Yuri G ^a   Burt, Stanley K ^a   Russo, Nino ^b  

^a NATIONAL CANCER INSTITUTE   (United States)

^b UNIVERSITY OF CALABRIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CARBON; CATALYSIS; COBALT COMPOUNDS; HYDROGEN; IONS; PROBABILITY DENSITY FUNCTION; RHODIUM COMPOUNDS;

HYDROGEN ATOM; OXIDATIVE ADDITION; POTENTIAL ENERGY SURFACE; SPIN FORBIDDEN PROCESS;

ADDITION REACTIONS;

EID: 0031246103     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp970611m     Document Type: Article

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