Abstract
Detailed MINDO/2 calculations of naphthalene using the SIMPLEX minimization algorithm are reported. Comparison of results with experiment and variousπ approximations is made.The results are in good agreement with experiment.
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Part XXII: Bingham,R.C., Dewar, M.J.S.: J. Amer. chem. Soc. (in press).
This work was supported by the Air Force Office of Scientific Research through Contract F44620-70-C-0121, and the Robert A. Welch Foundation through Grant F-126.
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Dewar, M.J.S., Weiner, P. Ground states of molecules. Theoret. Chim. Acta 27, 373–375 (1972). https://doi.org/10.1007/BF00868862
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DOI: https://doi.org/10.1007/BF00868862