메뉴 건너뛰기




Volumn 94, Issue 4, 1998, Pages 501-508

Living polymers: Ab initio molecular dynamics study of the initiation step in the polymerization of isoprene induced by ethyl lithium

Author keywords

[No Author keywords available]

Indexed keywords


EID: 33748634073     PISSN: 09565000     EISSN: None     Source Type: Journal    
DOI: 10.1039/a707860i     Document Type: Article
Times cited : (21)

References (66)
  • 20
    • 33748584273 scopus 로고    scopus 로고
    • These calculations were carried out with the program CP-MD, version 2.5, written by J. Hutter and the group of numerical intensive computing at IBM Research Zurich Laboratory and the Parrinello group at the MPI in Stuttgart
    • These calculations were carried out with the program CP-MD, version 2.5, written by J. Hutter and the group of numerical intensive computing at IBM Research Zurich Laboratory and the Parrinello group at the MPI in Stuttgart.
  • 23
    • 0002807508 scopus 로고
    • Proceedings of the NATO ARW: Simple Molecular Systems at Very High Density
    • New York, Plenum Press
    • R. Car and M. Parrinello, Proceedings of the NATO ARW: Simple Molecular Systems at Very High Density, NATO ASI Series, New York, Plenum Press, 1988;
    • (1988) NATO ASI Series
    • Car, R.1    Parrinello, M.2
  • 36
    • 33748614021 scopus 로고    scopus 로고
    • note
    • We use the standard numbering for the carbon skeleton of the isoprene molecule where the methyl group is located at carbon atom number 2, i.e. in a 1,4-addition product the lithium is added at carbon atom number 1 and the carbanion at number 4 and in the 4,1-addition product vice versa.
  • 39
    • 33748627396 scopus 로고    scopus 로고
    • As the lithium-carbon interactions are essentially ionic, the terms 'coordination' and 'coordination number' are based solely on a distance criterion
    • As the lithium-carbon interactions are essentially ionic, the terms 'coordination' and 'coordination number' are based solely on a distance criterion.
  • 55
    • 0001176543 scopus 로고
    • Experimental evidence for a tetramer aggregation of polyisoprenyl lithium is reported in: D. J. Worsfold and S. Bywater, Can. J. Chem., 1964, 42, 2884.
    • (1964) Can. J. Chem. , vol.42 , pp. 2884
    • Worsfold, D.J.1    Bywater, S.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.