Concerted and stepwise reaction mechanisms for the addition of ozone to acetylene: A computational study

Journal of Physical Chemistry A

Volumn 111, Issue 22, 2007, Pages 4792-4803

  Chan, Wai To ^a   Weng, Chang'e ^a   Goddard, John D ^a  

^a UNIVERSITY OF GUELPH   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

BIRADICALOID TRANSITION STATE; OZONIDE; SPIN SYMMETRY BREAKING; WAVE FUNCTION INSTABILITY;

ADDITION REACTIONS; DENSITY FUNCTIONAL THEORY; ELECTRON ENERGY LEVELS; OZONE; POTENTIAL ENERGY SURFACES; REACTION KINETICS; WAVE FUNCTIONS;

ACETYLENE;

1,2,4 TRIOXANE; 1,2,4-TRIOXANE; ACETYLENE; HETEROCYCLIC COMPOUND; OZONE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; KINETICS; SYNTHESIS;

ACETYLENE; COMPUTER SIMULATION; HETEROCYCLIC COMPOUNDS; KINETICS; MODELS, CHEMICAL; OZONE;

EID: 34250702045     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0633188     Document Type: Article

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