Excited states and electronic spectra of extended tetraazaporphyrins

Journal of Chemical Physics

Volumn 133, Issue 14, 2010, Pages

  Fukuda, Ryoichi ^a,b,c,d   Ehara, Masahiro ^a,b,d   Nakatsuji, Hiroshi ^c,d  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^b National Institutes of Natural Sciences   (Japan)

^c Quantum Chemistry Research Institute Kyoto   (Japan)

^d JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER-CONFIGURATION INTERACTION; CONFIGURATION INTERACTIONS; ELECTRONIC ABSORPTION; ELECTRONIC EXCITED STATE; ELECTRONIC SPECTRUM; ENERGY DIFFERENCES; FORBIDDEN STATE; LOW ENERGIES; LOW ENERGY REGIONS; MAGNETIC CIRCULAR DICHROISMS; MOLECULAR SIZE; NAPHTHALOCYANINES; ORBITAL ENERGY; ORBITAL MODELS; Q-BANDS; QUANTITATIVE AGREEMENT; QUANTUM CHEMICAL CALCULATIONS; SINGLE EXCITATION; TETRAAZAPORPHYRINS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

ABSORPTION; DENSITY FUNCTIONAL THEORY; DICHROISM; ELECTRIC EXCITATION; PORPHYRINS; QUANTUM CHEMISTRY; SPECTROSCOPY;

EXCITED STATES;

INDOLE DERIVATIVE; PHTHALOCYANINE; PORPHYRIN;

ARTICLE; CHEMISTRY; CIRCULAR DICHROISM; CLASSIFICATION; ELECTROCHEMISTRY; ELECTRON; ENERGY FILTERED TRANSMISSION ELECTRON MICROSCOPY; METHODOLOGY; SPECTROPHOTOMETRY;

CIRCULAR DICHROISM; ELECTROCHEMISTRY; ELECTRONS; INDOLES; MICROSCOPY, ENERGY-FILTERING TRANSMISSION ELECTRON; PORPHYRINS; SPECTROPHOTOMETRY;

EID: 77958106689     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3491026     Document Type: Article

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