메뉴 건너뛰기




Volumn 39, Issue 2, 1999, Pages 197-203

Directed toward the development of a unified structure theory of polycyclic conjugated hydrocarbons: The Aufbau principle in structure/similarity studies

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000631836     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci980063p     Document Type: Article
Times cited : (10)

References (31)
  • 1
    • 0000668623 scopus 로고
    • The bond orders of some conjugated molecules
    • Hall, G. G. The Bond Orders of Some Conjugated Molecules. Trans. Faraday Soc. 1957, 53, 573-581; Eigenvalues of Molecular Graphs. Bull. Inst. Math Appl. 1981, 17, 70-72: Eigenvalue Distributions in Alternant Hydrocarbons. J. Math. Chem. 1993, 13, 191-203.
    • (1957) Trans. Faraday Soc. , vol.53 , pp. 573-581
    • Hall, G.G.1
  • 2
    • 0000668623 scopus 로고
    • Eigenvalues of molecular graphs
    • Hall, G. G. The Bond Orders of Some Conjugated Molecules. Trans. Faraday Soc. 1957, 53, 573-581; Eigenvalues of Molecular Graphs. Bull. Inst. Math Appl. 1981, 17, 70-72: Eigenvalue Distributions in Alternant Hydrocarbons. J. Math. Chem. 1993, 13, 191-203.
    • (1981) Bull. Inst. Math Appl. , vol.17 , pp. 70-72
  • 3
    • 0039145933 scopus 로고
    • Eigenvalue distributions in alternant hydrocarbons
    • Hall, G. G. The Bond Orders of Some Conjugated Molecules. Trans. Faraday Soc. 1957, 53, 573-581; Eigenvalues of Molecular Graphs. Bull. Inst. Math Appl. 1981, 17, 70-72: Eigenvalue Distributions in Alternant Hydrocarbons. J. Math. Chem. 1993, 13, 191-203.
    • (1993) J. Math. Chem. , vol.13 , pp. 191-203
  • 4
    • 0001348660 scopus 로고
    • Graphical method for factorizing secular determinants of Huckel molecular orbital theory
    • McClelland, B. J. Graphical Method for Factorizing Secular Determinants of Huckel Molecular Orbital Theory. J. Chem. Soc., Faraday Trans. 2 1974, 70, 1453-1456; Eigenvalues of the Topological Matrix. J. Chem. Soc., Faraday Trans. 2 1982, 78, 911-916; On the Graphical Factorization of Huckel Characteristic Equations. Mol. Phys. 1982, 45, 189-190. Dias, J. R. Properties and Relationships of Right-Hand Mirror-Plane Fragments and Their Eigenvectors: the Concept of Complementarity of Molecular Graphs. Mol. Phys. 1996, 88, 407-417.
    • (1974) J. Chem. Soc., Faraday Trans. 2 , vol.70 , pp. 1453-1456
    • McClelland, B.J.1
  • 5
    • 3342976666 scopus 로고
    • Eigenvalues of the topological matrix
    • McClelland, B. J. Graphical Method for Factorizing Secular Determinants of Huckel Molecular Orbital Theory. J. Chem. Soc., Faraday Trans. 2 1974, 70, 1453-1456; Eigenvalues of the Topological Matrix. J. Chem. Soc., Faraday Trans. 2 1982, 78, 911-916; On the Graphical Factorization of Huckel Characteristic Equations. Mol. Phys. 1982, 45, 189-190. Dias, J. R. Properties and Relationships of Right-Hand Mirror-Plane Fragments and Their Eigenvectors: the Concept of Complementarity of Molecular Graphs. Mol. Phys. 1996, 88, 407-417.
    • (1982) J. Chem. Soc., Faraday Trans. 2 , vol.78 , pp. 911-916
  • 6
    • 61349112803 scopus 로고
    • On the graphical factorization of Huckel characteristic equations
    • McClelland, B. J. Graphical Method for Factorizing Secular Determinants of Huckel Molecular Orbital Theory. J. Chem. Soc., Faraday Trans. 2 1974, 70, 1453-1456; Eigenvalues of the Topological Matrix. J. Chem. Soc., Faraday Trans. 2 1982, 78, 911-916; On the Graphical Factorization of Huckel Characteristic Equations. Mol. Phys. 1982, 45, 189-190. Dias, J. R. Properties and Relationships of Right-Hand Mirror-Plane Fragments and Their Eigenvectors: the Concept of Complementarity of Molecular Graphs. Mol. Phys. 1996, 88, 407-417.
    • (1982) Mol. Phys. , vol.45 , pp. 189-190
  • 7
    • 0007186257 scopus 로고    scopus 로고
    • Properties and relationships of right-hand mirror-plane fragments and their eigenvectors: The concept of complementarity of molecular graphs
    • McClelland, B. J. Graphical Method for Factorizing Secular Determinants of Huckel Molecular Orbital Theory. J. Chem. Soc., Faraday Trans. 2 1974, 70, 1453-1456; Eigenvalues of the Topological Matrix. J. Chem. Soc., Faraday Trans. 2 1982, 78, 911-916; On the Graphical Factorization of Huckel Characteristic Equations. Mol. Phys. 1982, 45, 189-190. Dias, J. R. Properties and Relationships of Right-Hand Mirror-Plane Fragments and Their Eigenvectors: the Concept of Complementarity of Molecular Graphs. Mol. Phys. 1996, 88, 407-417.
    • (1996) Mol. Phys. , vol.88 , pp. 407-417
    • Dias, J.R.1
  • 10
    • 84961475074 scopus 로고
    • A formula periodic table for benzenoid hydrocarbons and the aufbau and excised internal structure concepts in Benzenoid enumeration
    • Dias, J. R. A Formula Periodic Table for Benzenoid Hydrocarbons and the Aufbau and Excised Internal Structure Concepts in Benzenoid Enumeration. Z. Naturforsch. 1989, 44a, 765-771; J. Math. Chem. 1990, 4, 17-29.
    • (1989) Z. Naturforsch. , vol.44 A , pp. 765-771
    • Dias, J.R.1
  • 11
    • 84961475074 scopus 로고
    • Dias, J. R. A Formula Periodic Table for Benzenoid Hydrocarbons and the Aufbau and Excised Internal Structure Concepts in Benzenoid Enumeration. Z. Naturforsch. 1989, 44a, 765-771; J. Math. Chem. 1990, 4, 17-29.
    • (1990) J. Math. Chem. , vol.4 , pp. 17-29
  • 12
    • 0011568279 scopus 로고
    • Benzenoids to fullerenes and the circumscribing algorithm
    • Dias, J. R. Benzenoids to Fullerenes and the Circumscribing Algorithm. Chem. Phys. Lett. 1993, 209, 439-444; Algorithm for Generating Fullerenes by Circumscribing. J. Chem. Inf. Comput. Sci. 1994, 34, 248-251.
    • (1993) Chem. Phys. Lett. , vol.209 , pp. 439-444
    • Dias, J.R.1
  • 13
    • 0028400992 scopus 로고
    • Algorithm for generating fullerenes by circumscribing
    • Dias, J. R. Benzenoids to Fullerenes and the Circumscribing Algorithm. Chem. Phys. Lett. 1993, 209, 439-444; Algorithm for Generating Fullerenes by Circumscribing. J. Chem. Inf. Comput. Sci. 1994, 34, 248-251.
    • (1994) J. Chem. Inf. Comput. Sci. , vol.34 , pp. 248-251
  • 14
    • 0040581244 scopus 로고
    • The characteristic polynomial and 1-factorable and 2-factorable graph structures associated with benzenoid hydrocarbons
    • Dias, J. R. The Characteristic Polynomial and 1-Factorable and 2-Factorable Graph Structures Associated with Benzenoid Hydrocarbons. Nouv. J. Chim. 1985, 9, 125-134.
    • (1985) Nouv. J. Chim. , vol.9 , pp. 125-134
    • Dias, J.R.1
  • 15
    • 0030567448 scopus 로고    scopus 로고
    • Almost-isospectral conjugated polyene molecules
    • Dias, J. R. Almost-Isospectral Conjugated Polyene Molecules. Chem. Phys. Lett. 1996, 253, 305-312; Dias, J. R. Techniques in Facile Calculation of Molecular Orbital Parameters and Related Conceptualizations. J. Mol. Struct. (THEOCHEM) 1997, 417, 49-67.
    • (1996) Chem. Phys. Lett. , vol.253 , pp. 305-312
    • Dias, J.R.1
  • 16
    • 0040605149 scopus 로고    scopus 로고
    • Techniques in facile calculation of molecular orbital parameters and related conceptualizations
    • Dias, J. R. Almost-Isospectral Conjugated Polyene Molecules. Chem. Phys. Lett. 1996, 253, 305-312; Dias, J. R. Techniques in Facile Calculation of Molecular Orbital Parameters and Related Conceptualizations. J. Mol. Struct. (THEOCHEM) 1997, 417, 49-67.
    • (1997) J. Mol. Struct. (THEOCHEM) , vol.417 , pp. 49-67
    • Dias, J.R.1
  • 17
    • 0031235992 scopus 로고    scopus 로고
    • Strongly subspectral conjugated molecular systems. From small molecules to infinitely large electronic networks
    • Dias, J. R. Strongly Subspectral Conjugated Molecular Systems. From Small Molecules to Infinitely Large Electronic Networks. J. Phys. Chem. A 1997, 101, 7167-175.
    • (1997) J. Phys. Chem. A , vol.101 , pp. 7167-7175
    • Dias, J.R.1
  • 18
    • 21944433498 scopus 로고    scopus 로고
    • On the calculation of a limit for infinite systems from data on finite systems
    • Morales, D. A. On the Calculation of a Limit for Infinite Systems from Data on Finite Systems. Theor. Chem. Acc. 1997, 98, 65-67. Randić, M.; Klein, D. J.; Zhu, H.-Y.; Trinajstić, N.; Zivkovic, T. Comparative Study of Large Molecules. Highly Accurate Calculation of a Limit for Infinite Systems from Data on Finite Systems. Theor. Chim. Acta 1995, 90, 1-19.
    • (1997) Theor. Chem. Acc. , vol.98 , pp. 65-67
    • Morales, D.A.1
  • 19
    • 0001314416 scopus 로고
    • Comparative study of large molecules. Highly accurate calculation of a limit for infinite systems from data on finite systems
    • Morales, D. A. On the Calculation of a Limit for Infinite Systems from Data on Finite Systems. Theor. Chem. Acc. 1997, 98, 65-67. Randić, M.; Klein, D. J.; Zhu, H.-Y.; Trinajstić, N.; Zivkovic, T. Comparative Study of Large Molecules. Highly Accurate Calculation of a Limit for Infinite Systems from Data on Finite Systems. Theor. Chim. Acta 1995, 90, 1-19.
    • (1995) Theor. Chim. Acta , vol.90 , pp. 1-19
    • Randić, M.1    Klein, D.J.2    Zhu, H.-Y.3    Trinajstić, N.4    Zivkovic, T.5
  • 20
    • 0000303180 scopus 로고
    • Helium(I) photoelectron spectrum of p-Quinodimethane
    • Koenig, T.; Wielesek, R.; Snell, W.; Balle, T. Helium(I) Photoelectron Spectrum of p-Quinodimethane. J. Am. Chem. Soc. 1975, 97, 3225-3226.
    • (1975) J. Am. Chem. Soc. , vol.97 , pp. 3225-3226
    • Koenig, T.1    Wielesek, R.2    Snell, W.3    Balle, T.4
  • 22
    • 0039988164 scopus 로고    scopus 로고
    • Properties of the correlated electronic states of pyrene and hydrogenated pyrene
    • Chakrabarti, A.; Anusooya, Y.; Ramasesha, S. Properties of the Correlated Electronic States of Pyrene and Hydrogenated Pyrene. Mol. Phys. 1996, 89, 1019-1032.
    • (1996) Mol. Phys. , vol.89 , pp. 1019-1032
    • Chakrabarti, A.1    Anusooya, Y.2    Ramasesha, S.3
  • 23
    • 0011980686 scopus 로고
    • Dias Isomer enumeration and topological characteristics of Benzenoid Quinones
    • Dias, J. R. Dias Isomer Enumeration and Topological Characteristics of Benzenoid Quinones. J. Chem. Inf. Comput. Sci. 1990, 30, 53-61.
    • (1990) J. Chem. Inf. Comput. Sci. , vol.30 , pp. 53-61
    • Dias, J.R.1
  • 24
    • 0039988165 scopus 로고    scopus 로고
    • Molecular orbital functional groups. 3. Subspectrality of the eigenvalues of linear polyene molecules and related aspects
    • Dias, J. R. Molecular Orbital Functional Groups. 3. Subspectrality of the Eigenvalues of Linear Polyene Molecules and Related Aspects. J. Chem. Inf. Comput. Sci. 1996, 36, 356-360.
    • (1996) J. Chem. Inf. Comput. Sci. , vol.36 , pp. 356-360
    • Dias, J.R.1
  • 25
    • 84988137870 scopus 로고
    • Analysis of the π-eiectronic structure of infinitely large networks
    • Hosoya, H.; Aida, M.; Kumagai, R.; Watanabe, K. Analysis of the π-Eiectronic Structure of Infinitely Large Networks. J. Comput. Chem. 1987, 8, 358-366. Hosoya, H. Factorization and Recursion Relations of the Matching and Characteristic Polynomials of Periodic Polymer Networks. J. Math. Chem. 1991, 7, 289-305.
    • (1987) J. Comput. Chem. , vol.8 , pp. 358-366
    • Hosoya, H.1    Aida, M.2    Kumagai, R.3    Watanabe, K.4
  • 26
    • 0011492440 scopus 로고
    • Factorization and recursion relations of the matching and characteristic polynomials of periodic polymer networks
    • Hosoya, H.; Aida, M.; Kumagai, R.; Watanabe, K. Analysis of the π-Eiectronic Structure of Infinitely Large Networks. J. Comput. Chem. 1987, 8, 358-366. Hosoya, H. Factorization and Recursion Relations of the Matching and Characteristic Polynomials of Periodic Polymer Networks. J. Math. Chem. 1991, 7, 289-305.
    • (1991) J. Math. Chem. , vol.7 , pp. 289-305
    • Hosoya, H.1
  • 27
    • 11944269111 scopus 로고
    • Four-membered ring compounds containing bis(methylene)cyclobutene or tetrakis(methylene)cyclobutane moieties. Benzocyclobutadiene, benzodicyclobutadiene, biphenylene, and related compounds
    • Toda, F.; Garratt, P. Four-Membered Ring Compounds Containing Bis(methylene)cyclobutene or Tetrakis(methylene)cyclobutane Moieties. Benzocyclobutadiene, Benzodicyclobutadiene, Biphenylene, and Related Compounds. Chem. Rev. 1992, 92, 1685-1707.
    • (1992) Chem. Rev. , vol.92 , pp. 1685-1707
    • Toda, F.1    Garratt, P.2
  • 28
    • 0039396094 scopus 로고
    • Electronic structure of benzo[3,4]cyclobuta[1.2]cycloheptenyl ions
    • Edmund, U.; Johnels, D.; Eliasson, B.; Trogen, L. Electronic Structure of Benzo[3,4]cyclobuta[1.2]cycloheptenyl Ions. J. Org. Chem. 1993, 58, 2020-2024.
    • (1993) J. Org. Chem. , vol.58 , pp. 2020-2024
    • Edmund, U.1    Johnels, D.2    Eliasson, B.3    Trogen, L.4
  • 29
    • 0040581247 scopus 로고
    • Mass spectral fragmentation of unsymmetrical diesters of malonic and succinic acids
    • Dias, J. R. Mass Spectral Fragmentation of Unsymmetrical Diesters of Malonic and Succinic Acids. Spectrosc. Lett. 1980, 13, 555-566.
    • (1980) Spectrosc. Lett. , vol.13 , pp. 555-566
    • Dias, J.R.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.