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Volumn 21, Issue 8, 2000, Pages 675-691

Quantum Mechanical Study of Regioselectivity of Radical Additions to Substituted Olefins

Author keywords

Anomeric and polar effects; Density functional model; Olefins; Post Hartree Fock model; Radical additions; Regiochemistry

Indexed keywords


EID: 0003853935     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(200006)21:8<675::AID-JCC7>3.0.CO;2-E     Document Type: Article
Times cited : (11)

References (46)
  • 11
    • 0001396757 scopus 로고    scopus 로고
    • For an assessment of theoretical procedures for the calculation of activation barriers and thermochemistry, see (a) Wong, M. W.; Radom, L. J Phys Chem 1998, 102, 2237; (b) Mayer, P. M.; Parkinson, C. J.; Smith, D. M.; Radom, L. J Chem Phys 1998, 108, 604.
    • (1998) J Phys Chem , vol.102 , pp. 2237
    • Wong, M.W.1    Radom, L.2
  • 12
    • 0000028487 scopus 로고    scopus 로고
    • For an assessment of theoretical procedures for the calculation of activation barriers and thermochemistry, see (a) Wong, M. W.; Radom, L. J Phys Chem 1998, 102, 2237; (b) Mayer, P. M.; Parkinson, C. J.; Smith, D. M.; Radom, L. J Chem Phys 1998, 108, 604.
    • (1998) J Chem Phys , vol.108 , pp. 604
    • Mayer, P.M.1    Parkinson, C.J.2    Smith, D.M.3    Radom, L.4
  • 16
    • 0002474830 scopus 로고    scopus 로고
    • Chong, D. P., Ed.; World Scientific: Singapore
    • Barone, V. In Advances in Density Functional Methods, Part I; Chong, D. P., Ed.; World Scientific: Singapore, 1996; p. 278.
    • (1996) In Advances in Density Functional Methods , Issue.1 PART , pp. 278
    • Barone, V.1
  • 38
    • 85037504777 scopus 로고    scopus 로고
    • note
    • r is almost the same for the two directions. In order to introduce the difference in the spin density of the two carbon centers, a curved line is used to translate the larger spin coupling.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.