Simulation of solution phase electron transfer in a compact donor-acceptor dyad

Journal of Physical Chemistry B

Volumn 115, Issue 42, 2011, Pages 12135-12144

  Kowalczyk, Tim ^a   Wang, Lee Ping ^a   Van Voorhis, Troy ^a  

^a MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; CONVERSION EFFICIENCY; COUPLINGS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STATES; ENERGY HARVESTING; EXCITED STATES; ISOMERIZATION; KETONES; MOLECULAR DYNAMICS; OSCILLATORS (ELECTRONIC); POLARIZATION; SOLVENTS;

CHARGE RECOMBINATIONS; CHARGE SEPARATIONS; CHARGE-TRANSFER EXCITED STATE; CIS-TRANS ISOMERIZATION; DIABATIC; DONOR-ACCEPTOR DYADS; DRIVING FORCES; DRUDE OSCILLATORS; ELECTRON-TRANSFER; ELECTRONIC COUPLING; ELECTRONIC POLARIZATION; GASPHASE; LIGHT-HARVESTING SYSTEMS; MOLECULAR DYNAMICS SIMULATIONS; ON THE FLIES; PHOTON-TO-CURRENT CONVERSION EFFICIENCY; POLARIZABLE FORCE FIELD; RATIONAL DESIGN; REORGANIZATION ENERGIES; SOLUTION PHASE; SOLVENT EFFECTS; SOLVENT POLARIZATION; STRONG CORRELATION; UNIFIED APPROACH;

COMPUTER SIMULATION;

EID: 80054898639     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp204962k     Document Type: Article

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