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Collect. Czech. Chem. Commun. 1960, 25, 811-819
https://doi.org/10.1135/cccc19600811

Calculation of molecular orbital energies of macromolecules with conjugated double bonds

J. Koutecký and R. Zahradník

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  • Kertéasz Miklóas, Koller Jožke, Ažkman Andrej: On the electronic structure of periodic polyglycine. Int. J. Quantum Chem. 2009, 18, 177. <https://doi.org/10.1002/qua.560180717>
  • Srnec Martin, Zahradník Rudolf: Small Group IIa–VIa Clusters and Related Systems: A Theoretical Study of Physical Properties, Reactivity, and Electronic Spectra. Eur J Inorg Chem 2007, 2007, 1529. <https://doi.org/10.1002/ejic.200600816>
  • Schwab Peter F. H., Smith Joshua R., Michl Josef: Synthesis and Properties of Molecular Rods. 2. Zig-Zag Rods. Chem. Rev. 2005, 105, 1197. <https://doi.org/10.1021/cr040707u>
  • Kertesz Miklos, Choi Cheol Ho, Yang Shujiang: Conjugated Polymers and Aromaticity. Chem. Rev. 2005, 105, 3448. <https://doi.org/10.1021/cr990357p>
  • Zahradník Rudolf, Šroubková Libuše: Polyacetylenes and Cumulenes, Potential Elements for Molecular Machines and Precursors of Carbon Clusters: A Theoretical Study. Helvetica Chimica Acta 2003, 86, 979. <https://doi.org/10.1002/hlca.200390115>
  • Seki Kazuhiko, Karlsson Ulf O., Engelhardt Rainer, Koch Ernst-Eckhard, Schmidt Werner: Intramolecular band mapping of poly(p-phenylene) via UV photoelectron spectroscopy of finite polyphenyls. Chemical Physics 1984, 91, 459. <https://doi.org/10.1016/0301-0104(84)80078-6>
  • Kertész M., Koller J., Ažman A.: Electronic structure and transport properties of polypeptides: Anab initiocrystal orbital study of a periodic polyglycine chain. Phys. Rev. B 1978, 18, 5649. <https://doi.org/10.1103/PhysRevB.18.5649>
  • Graovac A., Gutman I., Randić M., Trinajstić N.: On structural features characterizing conductivity in polymeric conjugated hydrocarbons. Colloid Polymer Sci 1977, 255, 480. <https://doi.org/10.1007/BF01536464>
  • Hendeković J.: Complex molecular orbitals approach to electron correlations in polymers. Chemical Physics 1975, 9, 105. <https://doi.org/10.1016/0301-0104(75)80121-2>
  • André Jean Marie: Self‐Consistent Field Theory for the Electronic Structure of Polymers. The Journal of Chemical Physics 1969, 50, 1536. <https://doi.org/10.1063/1.1671239>
  • Bochvar D. A., Stankevich I. V.: Energy levels of certain macromolecules with systems of conjugate double and triple bonds. J Struct Chem 1968, 8, 841. <https://doi.org/10.1007/BF00746499>
  • Drabkin I.A., Tsaryuk V.I., Cherkashin M.I., Kisilitsa P.P., Chauser M.G., Chigir' A.N., Berlin A.A.: Electronic spectra of polymers with conjugated bonds. Polymer Science U.S.S.R. 1968, 10, 1998. <https://doi.org/10.1016/0032-3950(68)90289-X>
  • Suard Mich�le, Berthier Gaston, Re Giuseppe: Nova methodus adhibendi approximationem molecularium orbitalium ad plures iuxtapositas unitates. Theoret. Chim. Acta 1967, 7, 236. <https://doi.org/10.1007/BF01045581>
  • Del Re G., Ladik J., Biczó G.: Self-Consistent-Field Tight-Binding Treatment of Polymers. I. Infinite Three-Dimensional Case. Phys. Rev. 1967, 155, 997. <https://doi.org/10.1103/PhysRev.155.997>
  • Kusabayashi Shigekazu, Mikawa Hiroshi, Konda Misako, Hayashi Masano: The Refined Calculation of the Band-gap Energy of Tetramethylammonium Pentaiodide. Bulletin of the Chemical Society of Japan 1966, 39, 1383. <https://doi.org/10.1246/bcsj.39.1383>
  • Ladik J.: Some developments in the semiempirical theories of molecular crystals. I. the Hückel approximation. Acta Physica 1965, 18, 173. <https://doi.org/10.1007/BF03156697>
  • LADIK J.: Energy Band Structure of Proteins. Nature 1964, 202, 1208. <https://doi.org/10.1038/2021208a0>
  • Ladik J., Appel K.: Energy Band Structure of Polynucleotides in the Hückel Approximation. The Journal of Chemical Physics 1964, 40, 2470. <https://doi.org/10.1063/1.1725549>
  • Davydov B. �., Drabkin I. A., Korshak Yu. V., Rozenshtein L. D.: Electrophysical properties of polyazines. Russ Chem Bull 1963, 12, 1521. <https://doi.org/10.1007/BF00844109>
  • Ladik J.: Some remarks on the energy band structure of protein. Acta Phys. Hung. 1963, 15, 287. <https://doi.org/10.1007/BF03158408>
  • Tobin Marvin C.: Symmetry-Adapted LCAO MO's for Long-Chain Polyenes. The Journal of Chemical Physics 1961, 35, 1905. <https://doi.org/10.1063/1.1732176>