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Volumn 16, Issue 9, 2005, Pages 1615-1629

Semiempirical MO approach to the mechanism of the NIS-mediated nucleophilic addition to glycals: Multicomponent intermediates as models to tackle reactivity in organic chemistry

Author keywords

[No Author keywords available]

Indexed keywords

ALDEHYDE DERIVATIVE; IODINE DERIVATIVE; NUCLEIC ACID BASE; NUCLEOSIDE DERIVATIVE; SUCCINIMIDE DERIVATIVE;

EID: 17844396203     PISSN: 09574166     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tetasy.2005.03.010     Document Type: Article
Times cited : (6)

References (57)
  • 41
    • 85030796869 scopus 로고    scopus 로고
    • note
    • Hyperchem™, Hypercube, Inc., 1115 NW 4th Street, Gainesville, FL 32601, USA
  • 49
    • 0004192910 scopus 로고    scopus 로고
    • S. Scheiner John Wiley & Sons Ltd Baffins Lane, Chichester
    • S.L. Price S. Scheiner Molecular Interactions 1997 John Wiley & Sons Ltd Baffins Lane, Chichester Chapter 9
    • (1997) Molecular Interactions
    • Price, S.L.1
  • 50
    • 85030797868 scopus 로고    scopus 로고
    • note
    • Slight differences can be found because in the bicomponent model, the starting product was the bicomponent intermediate, and the different intermediates were calculated on approaching the base moiety (Table 5). For the tricomponent model, a complete 'unconstrained' search for the transition state was found
  • 51
    • 85030798463 scopus 로고    scopus 로고
    • note
    • Nucl distance (Å) is 1.547 (PM3), 1.500 (AM1), and 1.509 (DFT). In the same manner, in the tricomponent transition state 10, this distance becomes 2.011 (PM3), 1.905 (AM1), and 1.909 (DFT)
  • 54
    • 85030802090 scopus 로고    scopus 로고
    • note
    • Due to the different treatments that AM1 and PM3 semiempirical methods grant to the phenyl groups' interactions, differences in the optimal three-dimensional arrangement for these groups are usually found
  • 57
    • 85030795596 scopus 로고    scopus 로고
    • note
    • Energies and Cartesian coordinates are available, on request, from the corresponding author


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.