Abstract
Electronic structures and spectra of Hafner's hydrocarbons have been calculated by means of the semi-empirical SCF CI MO method incorporated with the variable bond-length technique. The results are in good agreement with experimental data.
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References
Hafner, K., Schneider, J.: Angew. Chem. 70, 702 (1958); Liebigs Ann. Chem. 624, 37 (1959).
Ali, M. A., Coulson, C. A.: Molecular Physics 4, 65 (1961).
Chatterjee, H., Ali, M. A.: Tetrahedron 20, 2829 (1964).
DasGupta, N. K., Ali, M. A.: Theoret. chim. Acta (Berl.) 4, 101 (1966).
Julg, A., FranÇois, P.: Theoret. chim. Acta (Berl.) 7, 249 (1967).
Yamaguchi, H., Nakajima, T., Kunii, T. L.: Theoret. chim. Acta (Berl.) 12, 349 (1968).
Nakajima, T., Toyota, A.: Chem. Physics Letters 3, 272 (1969).
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Yamaguchi, H., Terasaka, T. & Nakajima, T. Electronic spectra of Hafner's hydrocarbons. Theoret. Chim. Acta 18, 255–257 (1970). https://doi.org/10.1007/BF00527340
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DOI: https://doi.org/10.1007/BF00527340