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Volumn 315, Issue C, 1994, Pages 85-90

PM3-CI calculation of Diels-Alder transition structures of hetero dienophile addition to butadiene: comparison with PM3 and ab initio generated transition structures

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0006234031     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/0166-1280(94)03757-C     Document Type: Article
Times cited : (10)

References (34)
  • 23
    • 84909908395 scopus 로고    scopus 로고
    • For detailed explanation of searching and optimization of transition structures with semiempirical methods see computational methods in: B.S. Jursic and Z. Zdravkovski, J. Mol. Struct. (Theochem), 303 (1994) 177.For more detail on location of the transition states with semiempirical methods in the Cope rearrangement see: M.J.S. Dewar, E.F. Healy and J.J.P. Stewart, J. Chem. Soc. Faraday Trans. II, 3 (1984) 227.
  • 25
    • 84909908394 scopus 로고    scopus 로고
    • All calculations were carried out with MOPAC, version 6.0 Quantum Chemistry Program Exchange (QCPE), Program Number 445, 1990.
  • 29
    • 84909908393 scopus 로고    scopus 로고
    • B.S. Jursic and Z. Zdravkovski, J. Phys. Org. Chem., submitted.
  • 30
    • 84909908392 scopus 로고    scopus 로고
    • B.S. Jursic and Z. Zdravkovski, J. Org. Chem., submitted.
  • 31
    • 84909908391 scopus 로고    scopus 로고
    • B.S. Jursic and Z. Zdravkovski, J. Mol Struct. (Theochem), in press.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.