Atmospheric reactivity of CH2ICl with OH radicals: High-level OVOS CCSD(T) calculations for the x-abstraction pathways (X = H, Cl, or I)

Journal of Physical Chemistry A

Volumn 117, Issue 4, 2013, Pages 771-782

  Šulková, Katarína ^a   Šulka, Martin ^a   Louis, Florent ^b   Neogrády, Pavel ^a  

^a Faculty of Natural Sciences   (Slovakia)

^b PhysicoChimie des Processus de Combustion et de l'Atmosphere   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO METHOD; ABSTRACTION MECHANISM; ACTIVATION ENTHALPIES; ATMOSPHERIC LIFETIME; BASIS SETS; CANONICAL TRANSITION STATE THEORIES; CHLOROIODOMETHANE; CL REACTION; ENERGY PROFILE; H-ABSTRACTION; MOLECULAR COMPLEXES; OH RADICAL; OH REACTION; REACTION PATHWAYS; RELATIVISTIC EFFECTS; REMOVAL PROCESS; TEMPERATURE RANGE; THEORETICAL CALCULATIONS; TRANSITION STATE;

CALCULATIONS; CHLORINE COMPOUNDS; FREE RADICALS; PHOTOLYSIS; RATE CONSTANTS; REACTION KINETICS;

ABSTRACTING;

EID: 84874208710     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp312447x     Document Type: Article

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