Time-dependent density functional calculations of the Q-like bands of phenylene-linked free-base and zinc porphyrin dimers

International Journal of Quantum Chemistry

Volumn 84, Issue 3, 2001, Pages 338-347

  Yamaguchi, Yoichi ^a   Yokomichi, Yasunori ^a   Yokoyama, Shiyoshi ^b   Mashiko, Shinro ^b  

^a Kyoto Research Park 17 ^*  (Japan)

^b NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY   (Japan)

Author keywords

Dimers; Excitation spectra; Porphyrin; Q bands; Time dependent density functional calculations

Indexed keywords

AROMATIC COMPOUNDS; BAND STRUCTURE; CROSSLINKING; GROUND STATE; ISOMERS; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION; SPECTROSCOPIC ANALYSIS; VAN DER WAALS FORCES;

EXCITATION ENERGY; EXCITATION SPECTRA; PORPHYRIN; Q BANDS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

DIMERS;

EID: 0035882031     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.1067     Document Type: Article

References (31)