Substituent Effect on the Geometrical Structures and Electronic Properties of Benzonitrile Oligobenzonitriles

Acta Physico - Chimica Sinica

Volumn 16, Issue 10, 2000, Pages 886-891

  Hou, Tingjun ^a   Li, Youyong ^a   He, Yuankang ^a   Chen, Huiying ^a   Xu, Xiaojie ^a  

^a PEKING UNIVERSITY   (China)

Author keywords

Benzonitrile derivatives; Oligomer; Semiemperical calculation; ZINDO

Indexed keywords

EID: 0347243630     PISSN: 10006818     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (9)

1. Zhao X Y, Xu Q, He Y K, et al. Chinese Chem. Lett., 1996, 7: 71
2. Wang Q, Li Y Y, Pei W W, et al. Mat. Res. Soc. Symp. Proc., 1998, 488: 271
3. Lin L, Qian W, Wang C F, et al. J. Nonlinear Opt. Phys., 1999, 3: 419
4. Dewar M J S, Zoebisch E G, Healy E F, Stewart J J P. J. Am. Chem. Soc., 1985, 107: 3902
5. Rappe A K, Casewit C J, Colwell K S, Goddard W A, Skiff W M. J. Am. Chem. Soc., 1992 ,114: 10024
6. Mopac ver 7.0, Quantum Chemistry Program Exchange, Bloomington, USA, 1995
7. Ridley J, Zerner M C. Theor. Chim. Acta, 1976, 42: 223
8. Cerius2 ver. 4. 0, Molecular Simulation Incoporated, San Diego, USA, 1999
9. Koopman T. Physica (The Hagur), 1993, 10: 104