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Volumn 2, Issue 2, 2000, Pages 195-201

Calculations of the electronic structure of substituted indoles and prediction of their oxidation potentials

Author keywords

[No Author keywords available]

Indexed keywords

INDOLE DERIVATIVE;

EID: 0034650452     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/a908362f     Document Type: Article
Times cited : (27)

References (28)
  • 11
    • 0008896629 scopus 로고    scopus 로고
    • Oxford Molecular Ltd.
    • 11 Oxford Molecular Ltd., 1997 (http://www.oxmol.co.uk).
    • (1997)
  • 12
    • 0008917739 scopus 로고
    • research Lab, United States Air Force Academy
    • 12 MOPAC v6.0, J. J. P. Steward, Frank J. Seiler research Lab, United States Air Force Academy, 1990.
    • (1990) MOPAC V6.0
    • Steward, J.J.P.1    Frank J. Seiler2
  • 14
    • 0008930513 scopus 로고    scopus 로고
    • Molecular Simulations Inc., San Diego CA
    • 14 Molecular Simulations Inc., San Diego CA (http:// www.msi.com).
  • 22
    • 0008896729 scopus 로고    scopus 로고
    • note
    • 22 The ADF energy differences were calculated relative to the constituent atoms in their ground states, rather than the atomic "fragments" used by default in ADF.
  • 23
    • 0008917255 scopus 로고
    • ed. A. J. Bard, Marcel Dekker, New York, ch. 2
    • 23 C. K. Mann in Electroanalytical Chemistry, ed. A. J. Bard, vol. 2, Marcel Dekker, New York, 1969, ch. 2.
    • (1969) Electroanalytical Chemistry , vol.2
    • Mann, C.K.1
  • 24
    • 0008943376 scopus 로고    scopus 로고
    • note
    • 25 which does include parameters for first row transition metals, does not allow for solvation of these systems.
  • 25
    • 0008907520 scopus 로고    scopus 로고
    • Wavefunction Inc., Irvine CA
    • 25 Wavefunction Inc., Irvine CA (http://www.wavefun.com).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.