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Volumn 21, Issue 7, 2002, Pages 1487-1492

Synthesis and structure of group 14 element derivatives of carbotelluroates

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR ORBITALS;

EID: 0038342994     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om010934b     Document Type: Article
Times cited : (12)

References (51)
  • 29
    • 0038286745 scopus 로고    scopus 로고
    • note
    • 7,8
  • 41
    • 0004148869 scopus 로고
    • Cornell University Press: Ithaca, NY
    • Pauling, L. The Chemical Bond; Cornell University Press: Ithaca, NY, 1976; pp 135-220.
    • (1976) The Chemical Bond , pp. 135-220
    • Pauling, L.1
  • 43
    • 0003718311 scopus 로고
    • Elsevier: Amsterdam
    • The Beoke-style three-parameter density functional theory using the Lee-Yang-Parr correlation functional (B3LYP) was applied in our calculations. The effective core potentials (ECPs) LANL2DZ+p were used for C, O, Se, Te, Ge, Sn, and Pb. The d polarization function for the ECP basis set of all atoms, except for H, are taken from: Huzinaga, S.; Andzelm, J.; Klobukpwski, M.; Radzio-Andzelm, Y.; Sakai, Y.; Tatewaki, H. Gaussian Basis Sets for Molecular Calculations; Elsevier: Amsterdam, 1984.
    • (1984) Gaussian Basis Sets for Molecular Calculations
    • Huzinaga, S.1    Andzelm, J.2    Klobukpwski, M.3    Radzio-Andzelm, Y.4    Sakai, Y.5    Tatewaki, H.6
  • 48
    • 0001647167 scopus 로고
    • Sheldrick, G. M., Kruger, C., Goddard, R., Eds.; Oxford University Press: New York
    • Sheldrick, G. M. In Crystallographic Computing 3; Sheldrick, G. M., Kruger, C., Goddard, R., Eds.; Oxford University Press: New York, 1985; pp 175-189.
    • (1985) Crystallographic Computing , vol.3 , pp. 175-189
    • Sheldrick, G.M.1
  • 50
    • 0003872738 scopus 로고
    • Ibers, J. A., Hamilton, W. C., Eds.; Kynoch Press: Birmingham, England; Table 2.2A
    • Cromer, D. T.; Waber, J. T. International Tables for X-ray Crystallography; Ibers, J. A., Hamilton, W. C., Eds.; Kynoch Press: Birmingham, England, 1974; Vol. IV, Table 2.2A.
    • (1974) International Tables for X-ray Crystallography , vol.4
    • Cromer, D.T.1    Waber, J.T.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.