The entropic and enthalpic contributions to force-dependent dissociation kinetics of the pyrophosphate bond

Journal of the American Chemical Society

Volumn 133, Issue 50, 2011, Pages 20044-20047

  Hermes, Matthew ^a   Boulatov, Roman ^a  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACCURATE PREDICTION; ACTIVATION FREE ENERGY; CONFORMATIONAL ENTROPY; CONFORMATIONAL HETEROGENEITY; CONFORMATIONAL SPACE; DISSOCIATION KINETICS; LOCAL COORDINATE; MOLECULAR INTERPRETATION; NUCLEOPHILIC DISPLACEMENT; QUANTUM CHEMICAL COMPUTATIONS; QUANTUM-CHEMICAL CALCULATION; STRETCHED POLYMERS; TRANSITION STATE;

CONFORMATIONS; FREE ENERGY; KINETICS; QUANTUM CHEMISTRY; QUANTUM THEORY; REACTION KINETICS; SOLVENTS; SUBSTITUTION REACTIONS;

ACTIVATION ENERGY;

PYROPHOSPHATE;

ARTICLE; CHEMICAL MODEL; CHEMICAL REACTION KINETICS; DENSITY FUNCTIONAL THEORY; ENERGY; ENTHALPY; ENTROPY; METHANOLYSIS; PREDICTION; QUANTUM CHEMISTRY;

EID: 83755162444     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja207421v     Document Type: Article

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