From solvent fluctuations to quantitative redox properties of quinones in methanol and acetonitrile

Angewandte Chemie - International Edition

Volumn 45, Issue 12, 2006, Pages 1936-1938

  VandeVondele, Joost ^a   Sulpizi, Marialore ^a   Sprik, Michiel ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

Density functional calculations; Electron transfer; Hydrogen bonds; Molecular dynamics; Quinones

Indexed keywords

DENSITY FUNCTIONAL CALCULATIONS; ELECTRON TRANSFER; MARCUS THEORY; QUINONES;

ACETONITRILE; HYDROGEN BONDS; METHANOL; MOLECULAR DYNAMICS; REACTION KINETICS; REDOX REACTIONS; SOLVENTS; SUBSTITUTION REACTIONS;

KETONES;

ACETONITRILE; ACETONITRILE DERIVATIVE; METHANOL; QUINONE DERIVATIVE; SOLVENT;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON; ENERGY TRANSFER; OXIDATION REDUCTION REACTION;

ACETONITRILES; ELECTRONS; ENERGY TRANSFER; METHANOL; MODELS, CHEMICAL; MOLECULAR STRUCTURE; OXIDATION-REDUCTION; QUINONES; SOLVENTS;

EID: 33746319386     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200503581     Document Type: Article

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