Abstract
The electronic structure of polymers has become in the last years a subject of great interest. Polymers as constituents of plastics are important from the point of view of structural materials; biopolymers play a fundamental role in life process and molecular crystals built up from polymers like (SN)X or the TTF-TCNQ system exhibit special physical characteristics. It is now hoped that more emphasis will be given to the synthesis of those polymers which present specific features.
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References
“Proceedings of the NATO ASI on the Electronic Structure of Polymers and Molecular Crystals”, J.M. André and J. Ladik editors, B9, Plenum Press (1975)
G. Del Re, J. Ladik, G. Biczo, Phys. Rev., 155, 997 (1967)
J.M. André, J. Chem. Phys., 50, 1536 (1969)
J.M. Ziman, in “Principles of the theory of solids”, 2d ed., pp. 15-19 (1972)
J.M. André, J. Delhalle, Ch. Demanet, M.E. Lambert-Gérard, Internat. J. Quantum Chem., S10, 99 (1976)
F.E. Harris, J. Chem. Phys., 56, 4422 (1972)
J. Delhalle, F.E. Harris, submitted to Theoretica Chimica Acta
E. Zakrajsek, J. Zupan, Annales Soc. Scient. Bruxelles, 89, 337 (1975)
J.M. André, in “Proceedings of the NATO ASI on the Electronic Structure of Polymers and Molecular Crystals”, J.M. André and J. Ladik editors, pp. 1-21, B9, Plenum Press (1975)
J. Ladik, “Electronic Structure and Transport Properties of Biopolvmers”. NATO ASI, Namur (Belgium) 1977
J. Ladik, “Energy Band Structures of Highly Conducting Polymers”, NATO ASI, Namur (Belgium) 1977
P. Schüster, “Hydrogen Bonds and Intermolecular Interactions on Polymers”, NATO ASI, Namur (Belgium) 1977
J.M. André, Computer Physics Comm., 1, 391 (1970)
R.S. Mulliken, J. Chem. Phys., 23, 1833 (1955)
R. Hoffmann, J. Chem. Phys., 39, 1397 (1963)
J.M. André, J. Delhalle, Chem. Phys. Letters, 17, 145–149 (1972)
J. Delhalle, S. Delhalle, J.M. André, J.J. Pireaux, J. Riga, R. Caudano, J.J. Verbist, to appear in J. Electron Spectroscopy
J. Delhalle, Bull. Soc. Chim. Belges, 84, 135 (1975)
J. Delhalle, S. Delhalle, Internat. J. Quantum Chem., 11, 349 (1977)
J. Delhalle, D. Thelen, J.M. André, Computers and Chemistry, submitted
J.M. André, J. Delhalle, G. Kapsomenos, G. Leroy, Chem. Phys. Lett., 14, 485 (1972)
J. Delhalle, F.E. Harris, work in progress
J.M. André, G. Leroy, Chem. Phys. Letters, 5, 71 (1974)
J. Delhalle, J.M. André, S. Delhalle, C. Pivont-Malherbe, F. Clarisse, G. Leroy, D. Peeters, Theoretica Chim. Acta (Berl.), 43, 215 (1977)
J. Delhalle, J.M. André, S. Delhalle, J.J. Pireaux, R. Caudano, J.J. Verbist, J. Chem. Phys., 60, 595 (1974)
J.M. Sichel, M.A. Whitehead, Theoretica Chimica Acta (Berl.), 11, 220 (1968)
J. Delhalle, S. Delhalle, J.M. André, Chem. Phys. Letters, 34, 430 (1975)
U. Gelius, in “Electron Spectroscopy”, D.A. Shirley editor, pp. 311–334, North-Holland, Amsterdam (1972)
J. Verbist, “Photoelectron Spectroscopy as Applied for Determining Band structures or Polymers”, NATO ASI, Namur (Belgium) 1977.
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© 1978 D. Reidel Publishing Company, Dordrecht, Holland
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Andre, JM., Delhalle, J. (1978). LCAO Methods for Band Structure Calculations of Polymers. In: André, JM., Delhalle, J., Ladik, J. (eds) Quantum Theory of Polymers. NATO Advanced Study Institutes Series, vol 39. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-9812-4_1
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DOI: https://doi.org/10.1007/978-94-009-9812-4_1
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