Role of water in the multifaceted catalytic antibody 4B2 for allylic isomerization and kemp elimination reactions

Journal of Physical Chemistry B

Volumn 113, Issue 46, 2009, Pages 15372-15381

  Acevedo, Orlando ^a  

^a AUBURN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ABSTRACTING; COMPUTER SIMULATION; DEUTERIUM; ELECTRON TRANSITIONS; FREE ENERGY; ISOMERIZATION; ISOMERS; KETONES; MOLECULAR MECHANICS; MOLECULES; MONTE CARLO METHODS; PERTURBATION TECHNIQUES; PROTONS; STABILIZATION;

ACTIVE SITE; CATALYTIC ANTIBODIES; DEUTERIUM EXCHANGE; DI-ENOL; ELECTROSTATIC STABILIZATION; ELIMINATION REACTION; FREE ENERGY PERTURBATION; GENERAL BASE; GEOMETRIC ORIENTATION; HYDRONIUM IONS; INTEGRATION TECHNIQUES; ISOXAZOLES; MOLECULAR MECHANICS CALCULATIONS; MONTE CARLO SIMULATION; POLYNOMIAL FITTINGS; PROTON ABSTRACTION; PROTON EXCHANGE; RATE LIMITING; ROLE OF WATER; STEREO-SELECTIVE; TECHNICAL ADVANCEMENT; TRANSITION STATE; UNSATURATED KETONES; WATER MOLECULE;

ANTIBODIES;

EID: 70449568876     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9069114     Document Type: Article

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