The Quantum Instanton (QI) Model for Chemical Reaction Rates: The "Simplest" QI with One Dividing Surface

Journal of Physical Chemistry A

Volumn 108, Issue 15, 2004, Pages 3035-3039

  Venkataraman, Charulatha ^a   Miller, William H ^b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; DERIVATIVES; FREE ENERGY; INTEGRAL EQUATIONS; INTEGRATION; MATHEMATICAL MODELS; MONTE CARLO METHODS; RATE CONSTANTS; THERMAL EFFECTS;

ENERGY VARIANCE; REACTION RATES; SIMPLEST QUANTUM INSTANTON (SQI); TRANSITION RATE;

MOLECULAR DYNAMICS;

EID: 2342452654     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp031112q     Document Type: Article

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