Does water relay play an important role in phosphoryl transfer reactions? Insights from theoretical study of a model reaction in water and tert-butanol

Journal of Physical Chemistry B

Volumn 113, Issue 14, 2009, Pages 4930-4939

  Yang, Yang ^a   Cui, Qiang ^a  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALCOHOLS; DYNAMICS; ELECTRON TRANSITIONS; ISOMERIZATION; ISOMERS; MOLECULAR DYNAMICS;

EQUILIBRIUM MOLECULAR DYNAMICS; ISOMERIZATION REACTIONS; KINETIC EXPERIMENTS; MINIMUM ENERGY PATHS; MODEL REACTIONS; NUCLEOPHILIC ATTACKS; PHOSPHORYL TRANSFERS; POTENTIAL FUNCTIONS; PSEUDOROTATION; ROLE OF WATERS; SOLVENT STRUCTURES; TERT BUTANOLS; THEORETICAL APPROACHES; THEORETICAL STUDIES;

REACTION KINETICS;

EID: 65249093234     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp810755p     Document Type: Article

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