Quantum versus classical electron transfer energy as reaction coordinate for the aqueous Ru2+/Ru3+ redox reaction

Theoretical Chemistry Accounts

Volumn 115, Issue 2-3, 2006, Pages 113-126

  Blumberger, Jochen ^a   Sprik, Michiel ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

Ab initio molecular dynamics simulation; Energy gaps; Marcus theory; Redox reactions; Ru aqua cations

Indexed keywords

EID: 33644770185     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-005-0058-0     Document Type: Article

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