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The structures and energies of pentaprismane and hexaprismane - an ab initio study |
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| Affiliation: | Department of Chemistry University of Pennsylvania Philadelphia, Pennsylvania 19104-6323 U.S.A. |
| Abstract: | Ab initio calculations are reported for pentaprismane and hexaprismane using the 3-21G and 6-31G* basis set. The calculated structures and energies are compared with what is known experimentally and with the results of previous molecular mechanics calculations. |
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