Variational transition state theory as a tool to determine kinetic selectivity in reactions involving a valley-ridge inflection point

Journal of the American Chemical Society

Volumn 126, Issue 40, 2004, Pages 13089-13094

  González Lafont, Àngels ^a   Moreno, Miquel ^a   Lluch, José M ^a  

^a UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

DERIVATIVES; ISOTOPES; ORGANIC COMPOUNDS; PHASE TRANSITIONS; POTENTIAL ENERGY;

INFLATION POINTS; KINETIC SELECTIVITY; VARIATIONAL TRANSITIONAL STATE THEORY;

REACTION KINETICS;

ETHYLENE DERIVATIVE; OXYGEN; TETRAMETHYLETHYLENE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL REACTION KINETICS; CHEMICAL STRUCTURE; DYNAMICS; ELECTRON; ENERGY; TEMPERATURE; THEORY; VARIATIONAL TRANSITION STATE THEORY;

EID: 5644273803     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja039561r     Document Type: Article

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