Non-empirical molecular orbital calculations related to aromatic and heteroaromatic systems
| Autor: | Nisbet, John Donald |
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| Rok vydání: | 1978 |
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| Druh dokumentu: | Electronic Thesis or Dissertation |
| Popis: | A large program of ab initio studies of conjugated molecules has been completed. A major point of interest was the molecular geometry in a number of planar and nonplanar cases. The method was first applied to small molecules of known geometry, and then to large systems including cyclo-octatetraene, the larger annulenes, and various 7- and 9-membered ring heterocycles. |
| Databáze: | Networked Digital Library of Theses & Dissertations |
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