A quantum dynamics study of D2 + OH → DOH + D on the WSLFH potential energy function

Journal of Physical Chemistry A

Volumn 107, Issue 37, 2003, Pages 7132-7137

  Defazio, Paolo ^a   Gray, Stephen K ^b  

^a UNIVERSITY OF SIENA   (Italy)

^b ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CHEMICAL BONDS; CHEMICAL REACTIONS; ELECTRONIC STRUCTURE; HAMILTONIANS; MATRIX ALGEBRA; RATE CONSTANTS; VECTORS;

DIATOM-DIATOM JACOBI COORDINATES; EXTENSIVE QUASI-CLASSICAL TRAJECTORY; PARITY-ADAPTED ROTATIONAL BASIS FUNCTION; REAL WAVE PACKET METHOD; WU-SCHATZ-LENDVAY-FANG-HARDING AB INITIO-BASED POTENTIAL ENERGY FUNCTION; ZERO-CURVATURE TRANSITION STATE THEORY;

QUANTUM THEORY;

EID: 0141794029     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp030190a     Document Type: Article

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