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Volumn 38, Issue 2, 1998, Pages 113-124

Numerical determination of the Kekulé structure count of some symmetrical polycyclic aromatic hydrocarbons and their relationship with π-electronic energy: (A computational approach)

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EID: 0040555970     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci970232q     Document Type: Article
Times cited : (3)

References (30)
  • 5
    • 0002928070 scopus 로고
    • Enumeration of Resonance Structure
    • Herndon, W. C. Enumeration of Resonance Structure. Tetrahedron 1973, 29, 3-12.
    • (1973) Tetrahedron , vol.29 , pp. 3-12
    • Herndon, W.C.1
  • 6
    • 0001916220 scopus 로고
    • Enumeration of Benzenoid Systems and other Polyhexes
    • Cyvin, B. N.; Brunvoll, J. W.; Cyvin, S. J. Enumeration of Benzenoid Systems and other Polyhexes. Top. Curr. Chem. 1992, 162, 65-180.
    • (1992) Top. Curr. Chem. , vol.162 , pp. 65-180
    • Cyvin, B.N.1    Brunvoll, J.W.2    Cyvin, S.J.3
  • 7
    • 0000661751 scopus 로고
    • Aromaticity and Conjugation
    • Randić, M. Aromaticity and Conjugation. J. Am. Chem. Soc. 1977, 99, 444-450.
    • (1977) J. Am. Chem. Soc. , vol.99 , pp. 444-450
    • Randić, M.1
  • 8
    • 0010902906 scopus 로고
    • Note on Algebric Structure Count
    • Gutman, I. Note on Algebric Structure Count. Z. Naturforsch, 1984, 39A, 794-796.
    • (1984) Z. Naturforsch , vol.39 A , pp. 794-796
    • Gutman, I.1
  • 9
    • 0141845124 scopus 로고
    • A Periodic Table for Benzenoid Hydrocarbons
    • Dias, J. R. A Periodic Table for Benzenoid Hydrocarbons. Top. Curr. Chem. 1990, 153, 123-143.
    • (1990) Top. Curr. Chem. , vol.153 , pp. 123-143
    • Dias, J.R.1
  • 10
    • 0141621779 scopus 로고
    • Algebraic Structure Count
    • . Dias, J. R. Algebraic Structure Count. J. Math. Chem. 1992, 9, 253-260.
    • (1992) J. Math. Chem. , vol.9 , pp. 253-260
    • Dias, J.R.1
  • 11
    • 4243692179 scopus 로고
    • A new method for the enumeration of Kekulé structures
    • . Gutman, I.; Cyvin, S. J. A new method for the enumeration of Kekulé structures. Chem. Phys. Lett. 1987, 136 (2), 137-140, and refs 14, 16, and 22-31 cited therein.
    • (1987) Chem. Phys. Lett. , vol.136 , Issue.2 , pp. 137-140
    • Gutman, I.1    Cyvin, S.J.2
  • 12
    • 0142197738 scopus 로고
    • The Characteristic Polynomial of a Chemical Graph
    • Trinajstić, N. The Characteristic Polynomial of a Chemical Graph. J. Math. Chem. 1988, 2, 197-215.
    • (1988) J. Math. Chem. , vol.2 , pp. 197-215
    • Trinajstić, N.1
  • 13
    • 0142197740 scopus 로고
    • Graph Theory and Molecular Orbitals
    • Gutman, I.; Trinajstić, N. Graph Theory and Molecular Orbitals. Croat. Chem. Acta. 1973, 45, 423-429.
    • (1973) Croat. Chem. Acta. , vol.45 , pp. 423-429
    • Gutman, I.1    Trinajstić, N.2
  • 14
    • 0000880426 scopus 로고
    • Enumeration of the Kekulé structures in conjugated hydrocarbons
    • Randić M. Enumeration of the Kekulé structures in conjugated hydrocarbons. J. Chem. Soc., Faraday Trans. 2 1976, 72, 232-243.
    • (1976) J. Chem. Soc., Faraday Trans. 2 , vol.72 , pp. 232-243
    • Randić, M.1
  • 15
    • 84987067926 scopus 로고
    • Splitting of the Characteristic Polynomial (CP) using a Computational Technique to Obtain the Factors of the Mirror Plane and Two-, Three-, and n-Fold Symmetric Graph
    • Patra, S. M.; Mishra, R. K. Splitting of the Characteristic Polynomial (CP) using a Computational Technique to Obtain the Factors of the Mirror Plane and Two-, Three-, and n-Fold Symmetric Graph. Int. J. Quantum Chem. 1995, 53, 361-374.
    • (1995) Int. J. Quantum Chem. , vol.53 , pp. 361-374
    • Patra, S.M.1    Mishra, R.K.2
  • 16
    • 1542521905 scopus 로고
    • Factors of Polyhedral Spectra: A Computational Approach
    • Patra, S. M.; Mishra, R. K. Factors of Polyhedral Spectra: A Computational Approach. J. Mol. Struct. (THEOCHEM) 1995, 342, 201-209.
    • (1995) J. Mol. Struct. (THEOCHEM) , vol.342 , pp. 201-209
    • Patra, S.M.1    Mishra, R.K.2
  • 17
    • 0012981058 scopus 로고    scopus 로고
    • Ordering the isomeric molecules through the graph spectrum: Generation of two topological indices depicting the branch and linear character (A cocomputational method)
    • Patra, S. M.; Mishra, R. K. Ordering the isomeric molecules through the graph spectrum: Generation of two topological indices depicting the branch and linear character (A cocomputational method) Bull. Chem. Soc. Jpn. 1997, 75 (5), 997-1001.
    • (1997) Bull. Chem. Soc. Jpn. , vol.75 , Issue.5 , pp. 997-1001
    • Patra, S.M.1    Mishra, R.K.2
  • 19
    • 0001348660 scopus 로고
    • Graphical Method for Factonzing Secular Determinants of Hückel Molecular Orbital Theory
    • McClelland, B. J. Graphical Method for Factonzing Secular Determinants of Hückel Molecular Orbital Theory. J. Chem. Soc., Faraday Trans. 2 1974, 70, 1453-1456.
    • (1974) J. Chem. Soc., Faraday Trans. 2 , vol.70 , pp. 1453-1456
    • McClelland, B.J.1
  • 21
    • 0000705280 scopus 로고
    • A Facile Hückel Molecular Orbital Solution of Buckminsterfullerene using chemical graph theory
    • Dias, J. R. A Facile Hückel Molecular Orbital Solution of Buckminsterfullerene using chemical graph theory. J. Chem. Educ. 1989, 66, 1012-1015.
    • (1989) J. Chem. Educ. , vol.66 , pp. 1012-1015
    • Dias, J.R.1
  • 22
    • 0007186257 scopus 로고    scopus 로고
    • Properties and relationships of right-hand mirror-plane fragments and their eigenvectors: The concept of complementarity of molecular graphs molecular orbital functional group-Part 2
    • Dias, J. R. Properties and relationships of right-hand mirror-plane fragments and their eigenvectors: The concept of complementarity of molecular graphs molecular orbital functional group-Part 2. Mol. Phys. 1996, 88, 407-417.
    • (1996) Mol. Phys. , vol.88 , pp. 407-417
    • Dias, J.R.1
  • 23
    • 84988054032 scopus 로고
    • Characteristic Polynomials of Organic Polymers and Periodic Structures
    • Balasubramanian, K. Characteristic Polynomials of Organic Polymers and Periodic Structures. J. Comput. Chem. 1985, 6, 656-661.
    • (1985) J. Comput. Chem. , vol.6 , pp. 656-661
    • Balasubramanian, K.1
  • 24
    • 84986456122 scopus 로고
    • On the evaluation of the Characteristic Polynomial of a Chemical Graph
    • Zivkovic, T. P. On the evaluation of the Characteristic Polynomial of a Chemical Graph. J. Comput. Chem. 1990, 11, 217-222.
    • (1990) J. Comput. Chem. , vol.11 , pp. 217-222
    • Zivkovic, T.P.1
  • 25
    • 84987082391 scopus 로고
    • Aromaticity Measured by Kekulé Structures
    • Hall, G. G. Aromaticity Measured by Kekulé Structures. Int. J. Quantum. Chem. 1991, 39, 605-613.
    • (1991) Int. J. Quantum. Chem. , vol.39 , pp. 605-613
    • Hall, G.G.1
  • 27
    • 84987142108 scopus 로고
    • Linear Dependence of Total π-Electron Energy of Benzenoid Hydrocarbons on Kekulé Structure
    • Gutman, I.; Hall, G. G. Linear Dependence of Total π-Electron Energy of Benzenoid Hydrocarbons on Kekulé Structure. Int. J. Quantum Chem. 1992, 41, 667-672, and references cited therein.
    • (1992) Int. J. Quantum Chem. , vol.41 , pp. 667-672
    • Gutman, I.1    Hall, G.G.2
  • 28
    • 0010680128 scopus 로고
    • The Generalized McClelland Formula
    • Cioslowski, J. The Generalized McClelland Formula. MATCH 1986, 20, 95-101.
    • (1986) MATCH , vol.20 , pp. 95-101
    • Cioslowski, J.1
  • 30
    • 11644263153 scopus 로고
    • Comments on the paper: Cycle decomposition of linear benzene chains
    • Gutman, I. Comments on the paper: Cycle decomposition of linear benzene chains. (MATCH) 1987, 22, 317-318.
    • (1987) MATCH , vol.22 , pp. 317-318
    • Gutman, I.1


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