Quantum Monte Carlo Study of the Reactions of CH with Acrolein: Major and Minor Channels

Journal of Physical Chemistry A

Volumn 120, Issue 20, 2016, Pages 3602-3612

  Pakhira, Srimanta ^a,b   Singh, Ravi I ^a,c   Olatunji Ojo, Olayinka ^d   Frenklach, Michael ^a,c   Lester, William A ^a,b  

^a LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

^d UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALDEHYDES; HERBICIDES; WAVE FUNCTIONS;

ATMOSPHERIC POLLUTION; DECOMPOSITION PATHWAY; DIFFUSION MONTE CARLO METHOD; ELEVATED TEMPERATURE; PRODUCT BRANCHING RATIOS; QUANTUM MONTE CARLO METHODS; QUANTUM MONTE CARLO STUDIES; UNSATURATED HYDROCARBONS;

MONTE CARLO METHODS;

EID: 84973364296     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/acs.jpca.5b11527     Document Type: Article

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