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Journal of Molecular Structure: THEOCHEM

Volumn 594, Issue 1-2, 2002, Pages 41-53

Calculation of excitation energies of organic chromophores: A critical evaluation

(4) Fabian, J a Diaz, L A a Seifert, G a Niehaus, T b,c

a DRESDEN UNIVERSITY OF TECHNOLOGY (Germany)

b Theoretische Physik (Germany)

c GERMAN CANCER RESEARCH CENTER DKFZ (Germany)

Author keywords

Electronic transitions; NUV VIS NIR spectral data; Semiempirical all valence electron configuration interaction methods; Time dependent density functional theory

Indexed keywords

ORGANIC COMPOUND; SULFUR;

ABSORPTION; ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL MODIFICATION; CHROMATOPHORE; EMPIRICISM; ENERGY; EXCITATION; SPECTRUM;

EID: 0037063789 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(02)00322-6 Document Type: Article

Times cited : (110)

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