Ground states of molecules |
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| Authors: | Michael J. S. Dewar Paul Weiner |
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| Affiliation: | (1) Department of Chemistry, The University of Texas at Austin, 78712 Austin, Texas, USA |
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| Abstract: | Detailed MINDO/2 calculations of naphthalene using the SIMPLEX minimization algorithm are reported. Comparison of results with experiment and various approximations is made.The results are in good agreement with experiment.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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