Approaches for obtaining accurate rate constants for hydrogen abstraction by a chlorine atom

Journal of Physical Chemistry A

Volumn 116, Issue 14, 2012, Pages 3745-3752

  Chan, Bun ^a   Radom, Leo ^a  

^a UNIVERSITY OF SYDNEY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

ALTERNATIVE APPROACH; CHLORINE ATOM; COMPUTATIONAL METHODOLOGY; CONVENTIONAL APPROACH; HYDROGEN ABSTRACTION; LARGE DEVIATIONS; LOW LEVEL; REASONABLE VALUE; SINGLE-POINT ENERGY; STATIONARY POINTS; TRANSITION STRUCTURES; VARIATIONAL TRANSITION-STATE THEORY; VIBRATION ENERGIES; ZERO-POINT;

ABSTRACTING; ACTIVATION ENERGY; CHLORINE; HYDROGEN;

RATE CONSTANTS;

EID: 84859795263     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp3007409     Document Type: Article

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