DFT/MRCI calculations on the excited states of porphyrin, hydroporphyrins, tetrazaporphyrins and metalloporphyrin

Journal of Porphyrins and Phthalocyanines

Volumn 5, Issue 3, 2001, Pages 225-232

  Parusel, Andreas B J ^a   Grimme, Stefan ^b  

^a NASA AMES RESEARCH CENTER   (United States)

^b UNIVERSITY OF MÜNSTER   (Germany)

Author keywords

DFT MRCI; Excited states; Porphyrin type systems; Quantum mechanical computations

Indexed keywords

BACTERIOCHLORIN; CHLORIN; HYDROGEN; HYDROPORPHYRIN DERIVATIVE; MAGNESIUM; METALLOPORPHYRIN; PHTHALOCYANINE; PORPHYRAZINE; PORPHYRIN; PORPHYRIN DERIVATIVE; TETRAAZAPORPHYRIN DERIVATIVE; UNCLASSIFIED DRUG; ZINC;

ABSORPTION SPECTROSCOPY; ARTICLE; CALCULATION; DENSITY FUNCTIONAL THEORY; ENERGY; OSCILLATOR; QUANTUM MECHANICS; STRUCTURE ANALYSIS;

EID: 0035106288     PISSN: 10884246     EISSN: None     Source Type: Journal    
DOI: 10.1002/jpp.310     Document Type: Article

References (41)