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Volumn 103, Issue 2-10, 1999, Pages 1394-1400

Ab Initio Molecular Orbital Study of Cation-π Binding between the Alkali-Metal Cations and Benzene

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000969342     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9837380     Document Type: Article
Times cited : (164)

References (48)
  • 29
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    • Lawley, K. P., Ed.; John Wiley and Sons: New York
    • Salahub, D. R. In Ab Initio Methods in Chemistry-II; Lawley, K. P., Ed.; John Wiley and Sons: New York, 1987; p 447.
    • (1987) Ab Initio Methods in Chemistry-II , pp. 447
    • Salahub, D.R.1
  • 39
    • 0346988600 scopus 로고    scopus 로고
    • Unpublished results. See UniChem manuals
    • Lee, C.; Chen, H.; Fitzgerald, G. Unpublished results. See UniChem manuals.
    • Lee, C.1    Chen, H.2    Fitzgerald, G.3
  • 40
    • 0346358805 scopus 로고    scopus 로고
    • DGauss, DGauss is available from Oxford Molecular, Beaverton, OR, as part of the UniChem suite of programs
    • DGauss, DGauss is available from Oxford Molecular, Beaverton, OR, as part of the UniChem suite of programs.
  • 42
    • 0002553839 scopus 로고
    • Labanowski, J., Andzelm, J., Eds.; Springer-Verlag: New York
    • Andzelm, J. Density Functional Theory in Chemistry; Labanowski, J., Andzelm, J., Eds.; Springer-Verlag: New York, 1991; pp 155.
    • (1991) Density Functional Theory in Chemistry , pp. 155
    • Andzelm, J.1
  • 43
    • 3342922190 scopus 로고
    • Andzelm, J. W.; Wimmer, E. J. Chem. Phys. 1992, 96, 1280. Test calculations indicate the BSSE is slightly less in the DFT than that obtained at the RHF level.
    • (1992) J. Chem. Phys. , vol.96 , pp. 1280
    • Andzelm, J.W.1    Wimmer, E.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.