Electrochemical reduction of tert-butyl chloride-Computational study

Electrochimica Acta

Volumn 55, Issue 11, 2010, Pages 3650-3656

  Ignaczak, Anna ^a  

^a UNIVERSITY OF LODZ   (Poland)

Author keywords

Adiabatic bond breaking electron transfer; Electroreduction kinetics; Molecular dynamics; Simulations; Tert butyl chloride

Indexed keywords

ANISOTROPIC MODELS; BOND-BREAKING; CHLORIDE MOLECULES; COMPUTATIONAL STUDIES; ELECTRO REDUCTION; ELECTROCHEMICAL REDUCTIONS; ELECTRON TRANSFER; FRICTION COEFFICIENTS; FRICTION PARAMETERS; HAMILTONIAN MODELS; ISOTROPIC MODELS; LOW FRICTION; MOLECULAR DYNAMICS SIMULATIONS; NON-ADIABATIC; OVERPOTENTIAL; POTENTIAL SURFACES; QUANTUM EFFECTS; REACTION CONDITIONS; SADDLE POINT; TRANSFER COEFFICIENT;

ANISOTROPY; CHLORINE COMPOUNDS; ELECTROLYTIC REDUCTION; ELECTRON TRANSITIONS; FRICTION; MOLECULAR DYNAMICS; QUANTUM ELECTRONICS; RATE CONSTANTS; TRIBOLOGY; TWO DIMENSIONAL;

REACTION KINETICS;

EID: 77949462845     PISSN: 00134686     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.electacta.2009.09.015     Document Type: Article

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