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A molecular-orbital-based molecular mechanics approach to study conjugated systems |
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| Authors: | J. Kao D. Leister M. Sito |
| Affiliation: | Philip Morris U.S.A. Research Center, P. O. Box 26583, Richmond, VA 23261 USA |
| Abstract: | The Allinger's MM2 program has been extended to calculate conjugated systems including N, O, and S hetero atoms. |
| Keywords: | |
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