MS-windows application for a PPP calculation using the novel two-center electron repulsion integral

Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals

Volumn 345, Issue , 2000, Pages 101-106

  Noguchi, Fumio ^a   Hanaoka, Nobuki ^a   Hiruta, Kimihiro ^a   Tachikawa, Tatsuya ^a   Nishimoto, Kichisuke ^b   Tokita, Sumio ^a  

^a SAITAMA UNIVERSITY   (Japan)

^b INSTITUTE FOR FUNDAMENTAL CHEMISTRY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; AROMATIC HYDROCARBONS; CALCULATIONS; COMPUTER APPLICATIONS;

NOVEL TWO CENTER ELECTRON REPULSION INTEGRAL; PARISER-PARR-POPLE MOLECULAR ORBITAL CALCULATION; SPECTROCHEMICAL SOFTNESS;

MOLECULAR ORIENTATION;

EID: 0034482544     PISSN: 1058725X     EISSN: None     Source Type: Journal    
DOI: 10.1080/10587250008023902     Document Type: Article

References (5)

1. K. Hiruta, S. Tokita and K. Nishimoto, Senryo to Yakuhin, 42, 172 (1997).
2. S. Tokita, H. Kihara, Y. Kogo and M. Matsuoka, Proc. 1st Int. Symp. on Chem. of Functional Dyes, 28 (1989).
3. H. Kihara, S. Tokita, Y. Kogo and M. Matsuoka, Proc. 2nd Int. Symp. on Chem. of Functional Dyes, 50 (1993).
4. K. Nishimoto, Bull. Chem. Soc. Jpn., 66, 1876 (1993).
5. K. Hiruta, S. Tokita and K. Nishimoto, J. Chem.Soc., Perkin Trans. ,2,1995, 1443.