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Volumn 63, Issue 3, 2004, Pages 663-670

Density functional theory study of the preferred conformation of geissoschizine

Author keywords

[No Author keywords available]

Indexed keywords

AMPHOLYTE; GEISSOSCHIZINE; QUINOLIZIDINE DERIVATIVE;

EID: 1342331990     PISSN: 03855414     EISSN: None     Source Type: Journal    
DOI: 10.3987/com-03-9971     Document Type: Article
Times cited : (2)

References (24)
  • 3
    • 37049134201 scopus 로고
    • c) S. I. Heimberger and A. I. Scott, J. C. S. Chem. Commun., 1973, 217; M. Ruffer, C. Kan-Fan, H-P. Husson, J. Stöckigt, and M. H. Zenk, J. C. S. Chem. Commun., 1979, 1016.
    • (1973) J. C. S. Chem. Commun. , pp. 217
    • Heimberger, S.I.1    Scott, A.I.2
  • 14
    • 1342301109 scopus 로고    scopus 로고
    • note
    • For definition of global and local minima, see W. J. Hehre, Practical Strategies for Electronic Structure Calculations, Wavefunction, Irvine, Calfornia, 1995; C. Kaneko, H. Kagawa, and H. Ichikawa, Yakugaku Zasshi, 2000, 120, 969.
  • 15
    • 0033793653 scopus 로고    scopus 로고
    • For definition of global and local minima, see W. J. Hehre, Practical Strategies for Electronic Structure Calculations, Wavefunction, Irvine, Calfornia, 1995; C. Kaneko, H. Kagawa, and H. Ichikawa, Yakugaku Zasshi, 2000, 120, 969.
    • (2000) Yakugaku Zasshi , vol.120 , pp. 969
    • Kaneko, C.1    Kagawa, H.2    Ichikawa, H.3
  • 20
    • 1342279989 scopus 로고    scopus 로고
    • note
    • Geometrical optimization using the conformation proposed by Damak et al. 5 which has quasiaxial C15 substituent on twistboat ring D as the initial structure has again led to 6. It is obvious that the conformation proposed by them is least probable for geissoschizine.
  • 24
    • 85086494710 scopus 로고    scopus 로고
    • note
    • 3 are in trans (E) configuration.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.