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Title: Non-empirical molecular orbital calculations related to aromatic and heteroaromatic systems
Author: Nisbet, John Donald
Awarding Body: University of Edinburgh
Current Institution: University of Edinburgh
Date of Award: 1978
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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.
Supervisor: Not available Sponsor: Not available
Qualification Name: Thesis (Ph.D.) Qualification Level: Doctoral
EThOS ID:  DOI: Not available