Theoretical studies of intersystem crossing effects in the O+H2 reaction

Journal of Chemical Physics

Volumn 113, Issue 21, 2000, Pages 9456-9465

  Hoffmann, Mark R ^a,b   Schatz, George C ^a  

^a NORTHWESTERN UNIVERSITY   (United States)

^b UNIVERSITY OF NORTH DAKOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL REACTIONS; COMPUTER SIMULATION; ELECTRONIC STRUCTURE; HAMILTONIANS; HYDROGEN; INTEGRODIFFERENTIAL EQUATIONS; OXYGEN; POTENTIAL ENERGY; SURFACES;

BIMOLECULAR CHEMICAL REACTIONS; COMPLETE ACTIVE SPACE SELF CONSISTENT FIELD CALCULATIONS; INTERSYSTEM CROSSING EFFECT; MULTIREFERENCE CONFIGURATION INTERACTION; SPIN ORBIT INTERACTION; SPIN ORBIT MATRIX ELEMENT; TRAJECTORY SURFACE HOPPING;

MOLECULAR DYNAMICS;

EID: 0034505436     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1319937     Document Type: Article

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