A direct simulation of adiabatic charge transfer through bridged organic molecules

Zeitschrift fur Physikalische Chemie

Volumn 223, Issue 7, 2009, Pages 739-752

  Koslowski, Thorsten ^a   Steinbrecher, Thomas ^b  

^a UNIVERSITY OF FREIBURG   (Germany)

^b RUTGERS UNIVERSITY   (United States)

Author keywords

Charge transfer; Molecular dynamics; Reaction kinetics; Theory and simulation

Indexed keywords

COMPUTATION THEORY; DEGREES OF FREEDOM (MECHANICS); HAMILTONIANS; MOLECULAR DYNAMICS; QUANTUM THEORY; REACTION KINETICS;

CHARGE-TRANSFER RATE; CLASSICAL FORCE FIELDS; DIRECT COMPUTATIONS; DIRECT MOLECULAR DYNAMICS; POPULATION ANALYSIS; THEORY AND SIMULATION; THERMODYNAMIC POTENTIALS; TIGHT-BINDING HAMILTONIANS;

CHARGE TRANSFER;

EID: 69549138345     PISSN: 09429352     EISSN: None     Source Type: Journal    
DOI: 10.1524/zpch.2009.5416     Document Type: Article

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