Accurate determination of barrier height and kinetics for the F + H 2O → HF + OH reaction

Journal of Physical Chemistry A

Volumn 117, Issue 36, 2013, Pages 8864-8872

  Nguyen, Thanh Lam ^a   Li, Jun ^b   Dawes, Richard ^c   Stanton, John F ^a   Guo, Hua ^b  

^a UNIVERSITY OF TEXAS AT AUSTIN   (United States)

^b UNIVERSITY OF NEW MEXICO   (United States)

^c MISSOURI UNIVERSITY OF SCIENCE AND TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO THERMOCHEMISTRIES; ANHARMONIC POTENTIAL ENERGY; COUPLED-CLUSTER METHODS; GLOBAL POTENTIAL ENERGY SURFACES; KINETIC ISOTOPE EFFECTS; MULTIREFERENCE CONFIGURATION INTERACTION METHODS; QUASI-CLASSICAL TRAJECTORY METHOD; TRANSITION STATE THEORIES;

ISOTOPES; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; RATE CONSTANTS;

CALCULATIONS;

EID: 84884317675     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp4069448     Document Type: Conference Paper

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