Comparison of temperature effect on electroreduction of tert-butyl chloride and tert-butyl bromide - Theoretical study

Electrochimica Acta

Volumn 56, Issue 18, 2011, Pages 6305-6311

  Ignaczak, Anna ^a  

^a UNIVERSITY OF LODZ   (Poland)

Author keywords

Dissociative electron transfer; MD simulations; Reaction mechanism; Reduction of tert butyl halides; Transfer coefficient

Indexed keywords

BOND ELONGATION; DIFFERENT SOLVENTS; DISSOCIATIVE ELECTRON TRANSFERS; EFFECT OF TEMPERATURE; ELECTRO REDUCTION; GENERALIZED COORDINATES; IDENTICAL CONDITIONS; KINETICS AND MECHANISM; MD SIMULATIONS; MOLECULAR DYNAMICS SIMULATIONS; POTENTIAL SURFACES; QUANTUM CALCULATION; REACTION MECHANISM; SADDLE POINT; THEORETICAL STUDY; TRANSFER COEFFICIENT; VISCOUS SOLVENTS;

BROMINE COMPOUNDS; CHLORINE COMPOUNDS; ELECTROLYTIC REDUCTION; MOLECULAR DYNAMICS; PHOTODISSOCIATION; SOLVENTS; TEMPERATURE; TWO DIMENSIONAL;

REACTION KINETICS;

EID: 79959502048     PISSN: 00134686     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.electacta.2011.05.038     Document Type: Article

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