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Volumn 111, Issue 4, 1989, Pages 1281-1285

Ab Initio Studies on Silicon Compounds. 2. On the Gauche Structure of the Parent Polysilane

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE; IONIZATION; SILANES--ELECTRIC PROPERTIES; SILICONES--STRUCTURE;

EID: 0024606655     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja00186a020     Document Type: Article
Times cited : (100)

References (22)
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    • (a) Damewood, J. R., Jr.; West, R. Macromolecules 1985, 18, 159. (b) Tashiro, K.; Unno, M.; Nagase, S.; Teramae, H. Nippon Kagaku Kaishi 1986, 1404. (c) Welsh, W. J.; DeBolt, L.; Mark, J. E. Macromolecules 1986, 19, 2978.
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    • (a) Andre, J. M.; Vercauteren, D. P.; Bodart, V. P.; Fripiat, J. G. J. Comput. Chem. 1984, 5, 535. (b) Karpfen, A.; Beyer, A. J. Comput. Chem. 1984, 5, 11; J. Comput. Chem. 1984, 5, 19. (c) Otto, P.; Clementi, E.; Ladik, J. J. Chem. Phys. 1983, 78, 4547.
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    • (b) Dunning, T. H.; Hay, P. J. Modern Theoretical Chemistry, Schaefer, H. F., Ed.; Plenum: New York, 1977; 3, pp i-27.
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    • Huzinaga, S.1
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    • The influence of the cutoff scheme on the total energy was discussed and references cited therein
    • The influence of the cutoff scheme on the total energy was discussed in: Teramae, H. J. Chem. Phys. 1986, 85, 990, and references cited therein.
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    • GAUSSIAN 82
    • Cluster calculations are performed with the Gaussian 82 program package Carnegie-Mellon university: pittsburgh, PA, 1983. University:
    • Cluster calculations are performed with the Gaussian 82 program package: Binkley, J. S.; Frisch, M. J.; DeFrees, D. J.; Krishnan, R.; Whiteside, R. A.; Schlegel, H. B.; Fluder, E. M.; Pople, J. A. GAUSSIAN 82; Carnegie-Mellon university: pittsburgh, PA, 1983. University:
    • Binkley, J.S.1    Frisch, M.J.2    DeFrees, D.J.3    Krishnan, R.4    Whiteside, R.A.5    Schlegel, H.B.6    Fluder, E.M.7    Pople, J.A.8
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