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Volumn 100, Issue 3, 1996, Pages 954-959

Density functional and MP2 calculations of spin densities of oxidized 3-methylindole: Models for tryptophan radicals

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EID: 33748538747     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp951795c     Document Type: Article
Times cited : (51)

References (54)
  • 1
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    • (a) Dawson, J. H. Science 1988, 246, 433-439.
    • (1988) Science , vol.246 , pp. 433-439
    • Dawson, J.H.1
  • 19
    • 36448999335 scopus 로고
    • (b) Qin, Y.; Wheeler, R. A. J. Chem. Phys. 1995, 102, 1689-1698. See also discussion and references in these papers.
    • (1995) J. Chem. Phys. , vol.102 , pp. 1689-1698
    • Qin, Y.1    Wheeler, R.A.2
  • 21
    • 0037734653 scopus 로고
    • Salahub, D. R., Zerner, M. C., Eds.; American Chemical Society: Washington, DC, Chapter 12
    • The local functionals employed by Gaussian92/DFT include the standard LSDA (also called SVWN) functional, the local correlation functional VWN, and the BLYP functional combining the gradient correction of Becke and the LYP correlation functional: (a) Becke, A. D. The Challenge of d and f Electrons; Salahub, D. R., Zerner, M. C., Eds.; American Chemical Society: Washington, DC, 1989; Chapter 12, pp 165-179.
    • (1989) The Challenge of D and F Electrons , pp. 165-179
    • Becke, A.D.1
  • 24
    • 0000189651 scopus 로고
    • 10b expression. (a) Becke, A. D. J. Chem. Phys. 1993, 98, 5648-5652.
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648-5652
    • Becke, A.D.1
  • 37
    • 0002058203 scopus 로고
    • Clark, R. J. H., Hester, R. E., Eds.; Wiley: New York, Chapter 2
    • (a) Austin, J. C.; Jordan, T.; Spiro, T. G. Biomolecular Spectroscopy A; Clark, R. J. H., Hester, R. E., Eds.; Wiley: New York, 1993; Chapter 2, pp 55-127.
    • (1993) Biomolecular Spectroscopy A , pp. 55-127
    • Austin, J.C.1    Jordan, T.2    Spiro, T.G.3
  • 39
    • 85033050959 scopus 로고
    • Aldrich: Milwaukee
    • (c) The Aldrich Library FT-IR Spectra; Aldrich: Milwaukee, 1989; Vol. 1(2), p 653D.
    • (1989) The Aldrich Library FT-IR Spectra , vol.1 , Issue.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.