Casscf calculations for neutral and anion radical states of several π-conjugated bis-methylene systems

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

Volumn 306, Issue , 1997, Pages 475-486

  Yamaki, Daisuke ^a   Takeda, Sadamu ^a,b   Mori, Wasuke ^a,c   Yamaguchi, Kizashi ^a  

^a OSAKA UNIVERSITY   (Japan)

^b INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^c KANAGAWA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL SYMMETRY; DOPING (ADDITIVES); ELECTRON ENERGY LEVELS; MOLECULAR CRYSTALS; OPTIMIZATION;

CARBENES;

LIQUID CRYSTALS;

EID: 0031386138     PISSN: 1058725X     EISSN: None     Source Type: Journal    
DOI: 10.1080/10587259708044603     Document Type: Article

References (21)

1. K. Yamaguchi, Y. Toyoda and T. Fueno, Kagaku, 41, 585 (1986) (in Japanese).
2. K. Yamaguchi, Y. Toyoda and T. Fueno, Funct. Mater 5, 47 (1986) (in Japanese).
3. K. Yamaguchi, Y. Toyoda and T. Fueno, Synth. Metals, 19, 81 (1987).
4. K. Yamaguchi, Y. Toyoda, M. Nakano and T. Fueno, Synth. Metals, 19, 87 (1987).
5. K. Yamaguchi, Funct. Mater. 7, 5 (1987) (in Japanese).
6. K. Yamaguchi, Y. Takahara, T. Fueno, K. Nakasuji and I. Murata, Jpn. J. Appl. Phys., 27, L766 (1987).
7. K. Yamaguchi, Int. J. Quant. Chem., 37, 167 (1990).
8. K. Yamaguchi, H. Namimoto, T. Fueno, T. Nogami and Y. Shirota, Chem. Phys. Letters, 166, 408 (1990).
9. J. U. Bednort and K. A. Muller, Z. Phys., B64 189 (1986).
10. K. Yamaguchi, M. Okumura, T. Fueno and K. Nakasuji, Synth Metals, 41-43, 3631 (1991).
11. T. Sugano, T. Kukasawa and M. Kinoshita, Synth Metals, 41-43, 3281 (1991).
12. R. Kumai, M. M. Matsushita, A. Izuoka and T. Sugawara, J. Am. Chem. Soc., 116, 4523 (1994).
13. S. Yamanaka, M. Okumura, H. Nagao and K. Yamaguchi, Chem. Phys. Lett., 233 , 88 (1995).
14. S. Yamanaka, T. Kawakami, M. Okumura and K. Yamaguchi, Chem. Phys. Lett., 233, 257 (1995).
15. D. Yamaki, S. Yamada, G. Maruta, T. Kawakami, W.Mori and K.Yamaguchi, Mol. Cryst. Liq. Cryst., 279, 9 (1996).
16. G. Maruta, D. Yamaki, W. Mori, K. Yamaguchi and H. Nishide, Mol. Cryst. Liq. Cryst., 279, 19 (1996).
17. M. Matsushita, T. Momose, T. Shida, Y. Teki, T. Takui and K. Itoh, J. Am. Chem. Soc., 112, 4700 (1900).
18. M. Matsushita, T. Nakamura, T. Momose, T. Shida, Y. Teki, T. Takui, T. Kinoshita and K. Itoh, J. Am. Chem. Soc., 114, 7470 (1992).
19. M. Matsushita, T. Nakamura, T. Momose, T. Shida, Y. Teki, T. Takui, T. Kinoshita and K. Itoh, Bull. Chem. Soc. Jpn. 66, 1333 (1993).
20. S. Yamanaka, M. Okumura, K. Yamaguchi and K. Hirao, Chem. Phys. Lett., 225 , 213 (1994).
21. M. Dupuis, A. Marquez and E. R. Davidson, HONDO 95. 3 from CHEM-Station, (1995) IBM Corporation, Neighborhood Road, Kingston, NY. 12401