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Volumn 108, Issue 10, 2004, Pages 1790-1798

Ab Initio Study on the Effects of the Substituent and the Functional Group on the Isomerization of H3CC(X)=Y and H2C(X)CH=Y (Y = SiH2, PH, S; X = H, CH3, NH2, OH, F)

Author keywords

[No Author keywords available]

Indexed keywords

CARRIER CONCENTRATION; CHEMICAL BONDS; COMPLEXATION; ELECTRIC CHARGE; STEREOCHEMISTRY; SUBSTITUTION REACTIONS; THERMODYNAMIC STABILITY;

EID: 1842611888     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0371332     Document Type: Article
Times cited : (12)

References (87)
  • 40
    • 0004292287 scopus 로고    scopus 로고
    • Springer-Verlag: New York
    • Schubert, U. Silicon Chemistry; Springer-Verlag: New York, 1999; p 227.
    • (1999) Silicon Chemistry , pp. 227
    • Schubert, U.1
  • 59
    • 4544254546 scopus 로고    scopus 로고
    • Ab initio study on the effects of substituents and functional groups in the isomerization of 1- and 2-substituted propenes, acetaldimines, and aldehydes
    • Accepted
    • Chuang, C. H.; Lien, M. H. Ab initio study on the effects of substituents and functional groups in the isomerization of 1- and 2-substituted propenes, acetaldimines, and aldehydes. Eur. J. Org. Chem. Accepted.
    • Eur. J. Org. Chem.
    • Chuang, C.H.1    Lien, M.H.2
  • 70
    • 1842596613 scopus 로고    scopus 로고
    • note
    • The optimized geometric parameters calculated at the HF/6-31 G**, MP2(full)/6-31G*, and B3LYP/6-31G** levels for all structures examined in this study are presented in the Supporting Information (Table S-1).
  • 72
    • 1842544242 scopus 로고    scopus 로고
    • note
    • See Table S-2 in the Supporting Information.
  • 74
    • 0004214389 scopus 로고
    • VCH Publishers: New York
    • (a) Connors, K. A. Chemical Kinetics; VCH Publishers: New York, 1990; p 221,
    • (1990) Chemical Kinetics , pp. 221
    • Connors, K.A.1
  • 77
    • 1842596569 scopus 로고    scopus 로고
    • note
    • The remaining cases are represented in Figure S-1 of the Supporting Information.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.