Abstract
We present a simple real space method, based on the Green's function formalism, which is convenient for the calculation of the electronic structure of polymers with broken translational symmetry. The method is applied to the study of a model Hamiltonian which may describe conformational modifications of polymeric molecules. The possible role of localized states in chemical and biophysical processes is discussed.
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Gomes, M. A. F., Gama, A. A. S., Ferreira, R.: Chem. Phys. Letters53, 499 (1978); Chem. Phys. Letters57, 259 (1978)
Gomes, M. A. F., Ferreira, R.: Phys. Letters77A, 384 (1980)
Koshland, Jr. D. E.: The enzymes, Vol. 1, pp. 305–346, P. D. Boyer, H. Lardy, K. Myrback, eds. New York: Academic Press 1959
Koster, G. F., Slater, J. C.: Phys. Rev.95, 1167 (1954); Phys. Rev.96, 1208 (1954)
Morton-Blake, D. A.: Theoret. Chim. Acta (Berl.)56, 93 (1980); Int. J. Quantum Chem.18, 937 (1980)
Koiller, B., Brandi, H. S.: Paper I of this series, see this Vol.
Koiller, B., Falicov, L. M.: Phys. Rev.B13, 4387 (1976)
Evans, M. G., Gergely, J.: Biochem. Biophys. Acta3, 188 (1949)
Morokuma, K.: Chem. Phys. Letters9, 129 (1971)
Ladik, J., Suhai, S., Seel, M.: Int. J. Quantum Chem., Quant. Biol. Symp.5, 35 (1978)
B. A. Peters, Meet, K. E.: J. Biol. Chem.253, 6826 (1978)
Hopfield, J. J.: Proc. Nat. Acad. Sci. USA71, 3640 (1974); Biophys. J.18, 311 (1977)
Brill, A. S.: Byophys. J.22, 139 (1978)
Potasek, M. J.: Science201, 151 (1978)
Merzbacher, E.: Quantum mechanics, (2nd ed.) p. 479. New York: Wiley Intern. Edition
See, for example, Stryer, L.: Biochemistry, pp. 788–791. San Francisco: W. H. Freeman and Co. 1975
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This work has been partially supported by the Brazilian Agencies FINEP and CNPq.
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Brandi, H.S., Kollier, B. & Ferreira, R. Localized states in polymeric molecules. II. Applications to chemical and biological processes. Theoret. Chim. Acta 60, 89–96 (1981). https://doi.org/10.1007/BF00554390
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DOI: https://doi.org/10.1007/BF00554390