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Volumn 771, Issue 1-3, 2006, Pages 171-179

The stereospecific polymerization of 1,3-butadiene mediated by early and late transition-metal catalysts. Towards a deeper understanding of the catalytic structure-reactivity relationships from computational-mechanistic studies

Author keywords

Allylnickel(II) complexes; Carbon carbon bond formation; Catalytic structure reactivity relationships; Computational modeling; Rational catalyst design; Reaction mechanism

Indexed keywords


EID: 33748929862     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.03.036     Document Type: Article
Times cited : (15)

References (76)
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    • For a general overview see: special issue on Computational Transition Metal Chemistry, Chem. Rev. 100 (2000) 353-818.
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    • P. Pino, U. Giannini, L. Porri, in: Encyclopedia of Polymer Science and Engineering, second ed., vol. 8, Wiley, New York, 1987, p. 147.
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    • note
    • When cis,cis-1,4-dideuterio-1,3-butadiene is used as a monomer, then the tacticity arises from the relative stereochemistry of the H and D atoms in the methylene groups.
  • 75
    • 33748935230 scopus 로고    scopus 로고
    • note
    • -1 from the favorable transition-state structure shown in Fig. 11. We have, however, not been able to fully localize this transition-state structure.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.