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Volumn 28, Issue 1-3, 2000, Pages 71-81

Graphical linking of a MO multicenter bond index to VB structures

Author keywords

Benzene; Multicenter bond index; VB structures

Indexed keywords


EID: 0034337947     PISSN: 02599791     EISSN: None     Source Type: Journal    
DOI: 10.1023/a:1018844410832     Document Type: Article
Times cited : (28)

References (18)
  • 4
    • 0001768311 scopus 로고    scopus 로고
    • Multicenter bond indices from the generalized population analysis of higher order densities
    • R. Ponec and F. Uhlik, Multicenter bond indices from the generalized population analysis of higher order densities, Croat. Chim. Acta 69 (1996) 941-954.
    • (1996) Croat. Chim. Acta , vol.69 , pp. 941-954
    • Ponec, R.1    Uhlik, F.2
  • 5
    • 0000537945 scopus 로고    scopus 로고
    • Ab initio SCF nonlinear population analysis. A new means of detection and localization of multicenter bonding
    • R.C. Bochicchio, R. Ponec and F. Uhlik, Ab initio SCF nonlinear population analysis. A new means of detection and localization of multicenter bonding, Inorg. Chem. 36 (1997) 5363-5368.
    • (1997) Inorg. Chem. , vol.36 , pp. 5363-5368
    • Bochicchio, R.C.1    Ponec, R.2    Uhlik, F.3
  • 7
    • 0001715616 scopus 로고    scopus 로고
    • private communication
    • A.B. Sannigrahi, private communication.
    • Sannigrahi, A.B.1
  • 8
    • 0001223036 scopus 로고    scopus 로고
    • Correlation analysis of chemical bonds
    • T. Yamasaki and W.A. Goddard III, Correlation analysis of chemical bonds, J. Phys. Chem. A 102 (1998) 2919-2933.
    • (1998) J. Phys. Chem. A , vol.102 , pp. 2919-2933
    • Yamasaki, T.1    Goddard W.A. III2
  • 9
    • 0001779034 scopus 로고
    • Nonlinear population analysis from geminal expansion of pair densities
    • R. Ponec and R.C. Bochicchio, Nonlinear population analysis from geminal expansion of pair densities, Int. J. Quant. Chem. 54 (1995) 99-105.
    • (1995) Int. J. Quant. Chem. , vol.54 , pp. 99-105
    • Ponec, R.1    Bochicchio, R.C.2
  • 10
    • 0000961517 scopus 로고    scopus 로고
    • Thinking and computing valence bond in organic chemistry
    • P.C. Hiberty, Thinking and computing valence bond in organic chemistry, J. Mol. Structure (Theochem) 451 (1998) 237-261.
    • (1998) J. Mol. Structure (Theochem) , vol.451 , pp. 237-261
    • Hiberty, P.C.1
  • 11
    • 0002241380 scopus 로고
    • Sur la définition d'un indice de liaison (TEV) pour des bases non orthogonales. Propriétés et applications
    • M. Giambiagi, M.S. de Giambiagi, D.R. Grempel and C.D. Heymann, Sur la définition d'un indice de liaison (TEV) pour des bases non orthogonales. Propriétés et applications, J. Chim. Phys. 72 (1975) 15-22.
    • (1975) J. Chim. Phys. , vol.72 , pp. 15-22
    • Giambiagi, M.1    De Giambiagi, M.S.2    Grempel, D.R.3    Heymann, C.D.4
  • 12
    • 84935178385 scopus 로고
    • Some considerations about indices in non-orthogonal bases and the MO calculation of valence and oxidation number
    • M.S. de Giambiagi, M. Giambiagi and P.E. Jorge, Some considerations about indices in non-orthogonal bases and the MO calculation of valence and oxidation number, Z. Naturforsch. 39a (1984) 1259-1273.
    • (1984) Z. Naturforsch. , vol.39 A , pp. 1259-1273
    • De Giambiagi, M.S.1    Giambiagi, M.2    Jorge, P.E.3
  • 13
    • 37549006850 scopus 로고
    • Application of the pople-santry-segal CNDO method to the cyclopropylcarbinyl and cyclobutyl cation and to cyclobutane
    • K. Wiberg, Application of the Pople-Santry-Segal CNDO method to the cyclopropylcarbinyl and cyclobutyl cation and to cyclobutane, Tetrahedron 24 (1968) 1083-1096.
    • (1968) Tetrahedron , vol.24 , pp. 1083-1096
    • Wiberg, K.1
  • 15
    • 0025390935 scopus 로고
    • MOPAC, a semiempirical molecular orbital program
    • J.J.P. Stewart, MOPAC, a semiempirical molecular orbital program, J. Comp.-Aided Mol. Design 4 (special issue) (1990) 1-105.
    • (1990) J. Comp.-Aided Mol. Design , vol.4 , Issue.SPEC. ISSUE , pp. 1-105
    • Stewart, J.J.P.1
  • 17
    • 0002689634 scopus 로고
    • Modified valence-bond treatment of unsaturated and aromatic compounds
    • G.H. Wheland, Modified valence-bond treatment of unsaturated and aromatic compounds, J. Chem. Phys. 23 (1955) 79-83.
    • (1955) J. Chem. Phys. , vol.23 , pp. 79-83
    • Wheland, G.H.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.