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Volumn 169, Issue 1-3, 2005, Pages 256-261
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Ab initio molecular dynamics simulation of redox reactions in solution
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Author keywords
Ab initio molecular dynamics; Marcus theory; Redox reactions
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Indexed keywords
COMPUTATIONAL METHODS;
COMPUTER SIMULATION;
ELECTROCHEMISTRY;
ELECTRODES;
ELECTRONIC STRUCTURE;
GROUND STATE;
IONIZATION;
MOLECULAR DYNAMICS;
PROBABILITY DENSITY FUNCTION;
SOLUTIONS;
AB INITIO MOLECULAR DYNAMICS;
ION DYNAMICS;
MARCUS THEORY;
NUCLEAR CONFIGURATION;
REDOX REACTIONS;
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EID: 21244448799
PISSN: 00104655
EISSN: None
Source Type: Journal
DOI: 10.1016/j.cpc.2005.03.059 Document Type: Conference Paper |
Times cited : (36)
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References (12)
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