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Volumn 101, Issue 5, 2001, Pages 1451-1464

Conceptual and computational DFT in the study of aromaticity

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY (DFT);

EID: 0035353487     PISSN: 00092665     EISSN: None     Source Type: Journal    
DOI: 10.1021/cr9903205     Document Type: Article
Times cited : (608)

References (225)
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    • 0011677735 scopus 로고    scopus 로고
    • note
    • 2=CH, 6 CH-CH, and 3 CH=CH bonds in both reactants and products.
  • 56
    • 0001198991 scopus 로고
    • The method of configuration interaction
    • Modern Theoretical Chemistry; Schaefer, H.F., III, Ed.; Plenum Press: New York and London,
    • Shavitt, I. The Method of Configuration Interaction. In Modern Theoretical Chemistry; Schaefer, H.F., III, Ed.; Plenum Press: New York and London, 1977; Vol. 3 (Methods of Electronic Structure Theory). p 189.
    • (1977) Methods of Electronic Structure Theory , vol.3 , pp. 189
    • Shavitt, I.1
  • 61
    • 0011627473 scopus 로고
    • Estimation of atomic and group electronegativities
    • Sen, K.D., Jørgenson, C.K., Eds.; Springer-Verlag: Berlin, Heidelberg
    • Mullay, J. Estimation of Atomic and Group Electronegativities. In Electronegativity (Structure and Bonding, Vol. 66); Sen, K.D., Jørgenson, C.K., Eds.; Springer-Verlag: Berlin, Heidelberg, 1987; p 1.
    • (1987) Electronegativity (Structure and Bonding) , vol.66 , pp. 1
    • Mullay, J.1
  • 75
    • 0003817478 scopus 로고
    • Electronegativity of atoms and molecular fragments
    • Sen, K.D., Jørgenson, C.K., Eds.; Springer-Verlag: Berlin, Heidelberg
    • Sen, K.D.; Böhm, M.C.; Schmidt, P.C. Electronegativity of Atoms and Molecular Fragments. In Electronegativity (Structure and Bonding, Vol. 66); Sen, K.D., Jørgenson, C.K., Eds.; Springer-Verlag: Berlin, Heidelberg, 1987; p 99.
    • (1987) Electronegativity (Structure and Bonding, Vol. 66) , vol.66 , pp. 99
    • Sen, K.D.1    Böhm, M.C.2    Schmidt, P.C.3
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.