Energy disposal and thermal rate constants for the OH + HBr and OH + DBr reactions: Quasiclassical trajectory calculations on an accurate potential energy surface

Journal of Physical Chemistry A

Volumn 118, Issue 51, 2014, Pages 12080-12088

  De Oliveira Filho, Antonio G S ^a   Ornellas, Fernando R ^a   Bowman, Joel M ^b  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

^b EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; MOLECULAR PHYSICS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

AB INITIO POTENTIAL ENERGY SURFACE; DBR; ENERGY DISPOSAL; QUASI-CLASSICAL-TRAJECTORY CALCULATIONS; REACTION CROSS-SECTIONS; THERMAL RATE CONSTANT;

RATE CONSTANTS;

EID: 84919924198     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp509430p     Document Type: Article

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