Effect of solvent polarization on the reorganization energy of electron transfer from molecular dynamics simulations

Journal of Chemical Physics

Volumn 129, Issue 19, 2008, Pages

  Vladimirov, Egor ^a   Ivanova, Anela ^a,b   Rösch, Notker ^a  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^b UNIVERSITY OF SOFIA   (Bulgaria)

Author keywords

[No Author keywords available]

Indexed keywords

CERAMIC CAPACITORS; DIELECTRIC WAVEGUIDES; ELECTROMAGNETIC WAVE POLARIZATION; ELECTRON TRANSITIONS; MOLECULAR DYNAMICS; NANOFLUIDICS; PERMITTIVITY; QUANTUM CHEMISTRY; SEMICONDUCTING SELENIUM COMPOUNDS; SOLVENTS;

AQUEOUS ENVIRONMENTS; CHARGE SEPARATIONS; FORCE FIELDS; MARCUS THEORIES; MOLECULAR DYNAMICS SIMULATIONS; OPTICAL DIELECTRIC CONSTANTS; POLARIZABLE FORCE FIELDS; POTENTIAL ENERGY GAPS; REORGANIZATION ENERGIES; SCALING FACTORS; SOLVENT CONTRIBUTIONS; SOLVENT POLARIZATIONS; SOLVENT REORGANIZATION ENERGIES; SPHERE MODELS;

DYNAMICS;

EID: 56849085488     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3013456     Document Type: Article

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