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Volumn 102, Issue 9, 1998, Pages 1576-1582

A distributed model of the electrical response of organic molecules

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; ATOMS; CARBON; ELECTRIC PROPERTIES; ELECTRONIC STRUCTURE; FLUORINE; HYDROGEN; HYDROGEN BONDS; MOLECULAR ORIENTATION; NITROGEN; OXYGEN;

EID: 0032000501     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp972354r     Document Type: Article
Times cited : (54)

References (73)
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    • (1993) J. Chem. Phys. , vol.99 , pp. 1828
    • Augspurger, J.D.1    Dykstra, C.E.2
  • 42
    • 35348906888 scopus 로고
    • Dunning, T. H. J. Chem. Phys. 1971, 55, 716. Huzinaga, S. J. Chem. Phys. 1965, 42, 1293.
    • (1971) J. Chem. Phys. , vol.55 , pp. 716
    • Dunning, T.H.1
  • 43
    • 36849140788 scopus 로고
    • Dunning, T. H. J. Chem. Phys. 1971, 55, 716. Huzinaga, S. J. Chem. Phys. 1965, 42, 1293.
    • (1965) J. Chem. Phys. , vol.42 , pp. 1293
    • Huzinaga, S.1
  • 49
    • 0000219101 scopus 로고
    • Amos, R. D. Chem. Phys. Lett. 1980, 70, 613; 1982, 88, 89.
    • (1982) Chem. Phys. Lett. , vol.88 , pp. 89
  • 53
    • 0001392512 scopus 로고
    • Cizek, J. J. Chem. Phys. 1966, 45, 4256; Adv. Chem. Phys. 1969, 14, 35.
    • (1966) J. Chem. Phys. , vol.45 , pp. 4256
    • Cizek, J.1
  • 54
    • 0004620463 scopus 로고
    • Cizek, J. J. Chem. Phys. 1966, 45, 4256; Adv. Chem. Phys. 1969, 14, 35.
    • (1969) Adv. Chem. Phys. , vol.14 , pp. 35
  • 61
    • 85034281999 scopus 로고    scopus 로고
    • note
    • Augmentation of TZ basis set was as follows: ELP s(0.05, 0.06), p(0.03, 0.005), d(0.9, 0.13, 0.02); ELP+d functions of ELP replaced with d(1.0, 0.2, 0.04, 0.008).
  • 73
    • 0003323222 scopus 로고
    • Molecular Mechanics
    • American Chemical Society: Washington, DC
    • Burkert, U.; Allinger, N. L. Molecular Mechanics; ACS Monograph 177; American Chemical Society: Washington, DC, 1982.
    • (1982) ACS Monograph 177
    • Burkert, U.1    Allinger, N.L.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.