The curvature of the Arrhenius plots predicted by conventional canonical transition-state theory in the absence of tunneling

Theoretical Chemistry Accounts

Volumn 110, Issue 5, 2003, Pages 352-357

  Masgrau, Laura ^a   González Lafont, Àngels ^a   Lluch, José M ^a  

^a UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

Author keywords

Activation energy; Arrhenius plots; Multicoefficient correlation methods; Transition state theory; Transitional modes

Indexed keywords

ARTICLE; CANONICAL ANALYSIS; CHEMICAL ANALYSIS; CHEMICAL REACTION; CHEMICAL STRUCTURE; GAS; NONLINEAR SYSTEM; PHASE TRANSITION; PREDICTION; TEMPERATURE; THEORY; VIBRATION;

EID: 0348222677     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-003-0484-9     Document Type: Article

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