Theoretical study of the excited states of chlorin, bacteriochlorin, pheophytin a, and chlorophyll a by the SAC/SAC-CI method

Journal of Physical Chemistry B

Volumn 102, Issue 7, 1998, Pages 1320-1326

  Hasegawa, J ^a   Ozeki, Y ^a   Ohkawa, K ^a   Hada, M ^a   Nakatsuji, H ^a,b  

^a KYOTO UNIVERSITY   (Japan)

^b INSTITUTE FOR FUNDAMENTAL CHEMISTRY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; CHLOROPHYLL; COMPUTATIONAL METHODS; DERIVATIVES; ELECTRON ENERGY LEVELS; ENERGY GAP; HYDROGEN BONDS; REDUCTION;

BACTERIOCHLORIN; PHEOPHYTIN; SYMMETRY ADAPTED CLUSTER CONFIGURATION INTERACTION (SAC-CI) METHOD;

NITROGEN COMPOUNDS;

EID: 0031997484     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp972894o     Document Type: Article

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