Modelling the bacterial photosynthetic reaction center. VI. Use of density-functional theory to determine the nature of the vibronic coupling between the four lowest-energy electronic states of the special-pair radical cation

Journal of Chemical Physics

Volumn 119, Issue 6, 2003, Pages 3249-3261

  Reimers, Jeffrey R ^a   Shapley, Warwick A ^a   Rendell, Alistair P ^b   Hush, Noel S ^a  

^a UNIVERSITY OF SYDNEY   (Australia)

^b AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

BACTERIA; COMPUTER SIMULATION; DIMERS; ELECTRONIC DENSITY OF STATES; ELECTRONS; FOURIER TRANSFORM INFRARED SPECTROSCOPY; MOLECULAR VIBRATIONS; NUMERICAL METHODS; OPTIMIZATION; POSITIVE IONS; PROBABILITY DENSITY FUNCTION;

BACTERIOCHLOROPHYLL MOLECULES; ELECTRON DONOR; ELECTRONIC COUPLING; RADICAL CATION; VIBRONIC COUPLING;

PHOTOSYNTHESIS;

EID: 0041878864     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1569910     Document Type: Article

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