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Volumn 45, Issue 15, 2006, Pages 6014-6019

Molecular structures of arachno-decaborane derivatives 6,9-X 2B8H10 (X = CH2, NH, Se) including a gas-phase electron-diffraction study of 6,9-C2B8H 14

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EID: 33746879939     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic060296v     Document Type: Article
Times cited : (13)

References (81)
  • 7
    • 36148995600 scopus 로고
    • Note that another popular population analysis based on the Mulliken scheme affords a different result; the drawbacks of the Mulliken approach are well-known. See, for example: Reed, A. E.; Weinstock, R. B.; Weinhold, F. J. Chem. Phys. 1985, 83, 735.
    • (1985) J. Chem. Phys. , vol.83 , pp. 735
    • Reed, A.E.1    Weinstock, R.B.2    Weinhold, F.3
  • 22
  • 24
    • 0000576481 scopus 로고    scopus 로고
    • NMR Chemical Shift Computation: Structural Applications
    • Schleyer, P. v. R., Allinger, N. L., Clark, T., Gasteiger, J., Kollman, P. A., Schaefer, H. F., Schreiner, P. R., Eds.; John Wiley and Sons: Chichester, U.K.
    • (g) Bühl, M. NMR Chemical Shift Computation: Structural Applications. In Encyclopedia of Computational Chemistry; Schleyer, P. v. R., Allinger, N. L., Clark, T., Gasteiger, J., Kollman, P. A., Schaefer, H. F., Schreiner, P. R., Eds.; John Wiley and Sons: Chichester, U.K., 1998; Vol. 3, p 1835.
    • (1998) Encyclopedia of Computational Chemistry , vol.3 , pp. 1835
    • Bühl, M.1
  • 40
    • 33746867647 scopus 로고    scopus 로고
    • note
    • 10 failed, we optimized its structure at the RMP2(fc)/6-31G* level. HF/6-31G* showed this system to represent a minimum on its potential-energy hypersurface.
  • 48
    • 33746886370 scopus 로고
    • Ph.D. Thesis, Ruhr-UniversitätBochum, Bochum, Germany
    • Same as 962(d), augmented with one set of diffuse s and p functions. (26) (15s11p7d2f) contracted to [10s9p5d], cf. (a) Fleischer, U. Ph.D. Thesis, Ruhr-UniversitätBochum, Bochum, Germany, 1992.
    • (1992)
    • Fleischer, U.1
  • 61
    • 33746867646 scopus 로고    scopus 로고
    • note
    • 10 are (in ppm): B(1, 3) = -32.9; B(2, 4) = 18.4; B(5, 7, 8, 10) = -16.0.
  • 65
    • 0000716317 scopus 로고
    • Wilson, A. J. C., Ed.; Kluwer Academic Publishers: Dordrecht, The Netherlands
    • Ross, A. W.; Fink, M.; Hilderbrandt, R. International Tables for Crystallography; Wilson, A. J. C., Ed.; Kluwer Academic Publishers: Dordrecht, The Netherlands, 1992; Vol. C, p 245.
    • (1992) International Tables for Crystallography , vol.100 , pp. 245
    • Ross, A.W.1    Fink, M.2    Hilderbrandt, R.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.