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Volumn 102, Issue 10, 1998, Pages 1820-1831

New class IV charge model for extracting accurate partial charges from wave functions

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000958036     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp972682r     Document Type: Article
Times cited : (288)

References (59)
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    • (1993) Reviews in Computational Chemistry , vol.5 , pp. 171
    • Bachrach, S.M.1
  • 17
    • 11744368697 scopus 로고
    • Calais, J.-L., Goscinski, O., Linderberg, J., Öhrn, Y., Eds.; Plenum Press: New York
    • (b) Del Re, G. In Quantum Science; Calais, J.-L., Goscinski, O., Linderberg, J., Öhrn, Y., Eds.; Plenum Press: New York, 1976; p 53.
    • (1976) Quantum Science , pp. 53
    • Del Re, G.1
  • 37
    • 0001015533 scopus 로고
    • Landolt-Börnstein, New Series, Group II; Hellwege, K. H., Hellwege, A. M., Eds.; Springer-Verlag: Berlin
    • (a) Stark, B.; In Molecular Constants from Microwave Spectroscopy, Landolt-Börnstein, New Series, Group II; Hellwege, K. H., Hellwege, A. M., Eds.; Springer-Verlag: Berlin, 1967; Vol. 4, p 136.
    • (1967) Molecular Constants from Microwave Spectroscopy , vol.4 , pp. 136
    • Stark, B.1
  • 38
    • 84935497769 scopus 로고
    • Landolt-Börnstein, New Series, Group II; Hellwege, K. H., Hellwege, A. M., Eds.; Springer-Verlag: Berlin
    • (b) Demaison, J.; Hütner, W.; Stark, B.; Buck, I.; Tischer, R.; Winnewisser, M. In Molecular Constants, Landolt-Börnstein, New Series, Group II; Hellwege, K. H., Hellwege, A. M., Eds.; Springer-Verlag: Berlin, 1974; Vol. 6, p 261.
    • (1974) Molecular Constants , vol.6 , pp. 261
    • Demaison, J.1    Hütner, W.2    Stark, B.3    Buck, I.4    Tischer, R.5    Winnewisser, M.6
  • 39
    • 84935497769 scopus 로고
    • Landolt-Börnstein, New Series, Group II; Hellwege, K. H., Hellwege, A. M., Eds.; Springer-Verlag: Berlin
    • (c) Demaison, J.; Hütner, W.; Tiemann, E. In Molecular Constants, Landolt-Börnstein, New Series, Group II; Hellwege, K. H., Hellwege, A. M., Eds.; Springer-Verlag: Berlin, 1982; Vol. 14a, p 584.
    • (1982) Molecular Constants , vol.14 A , pp. 584
    • Demaison, J.1    Hütner, W.2    Tiemann, E.3
  • 51
    • 85034290637 scopus 로고    scopus 로고
    • The FORTRAN source code for the genetic algorithm can be obtained from D. L. Carroll's World Wide Web site at http://www.staff.uiuc.edu/∼carroll/ga.html.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.