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On the application of Saunders' level shifting technique to CNDO/2 calculations

✍ Scribed by G. Pongor


Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
266 KB
Volume
24
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES


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Ab initlo molecular orbital theory has been used to study the intramolecular rearrangement of ethyiidene to ethylene and of the ovoniomethylene catlon to the hydrolymethyl cation. Optmuzed geometries of stable isomers and transition struttures have been determined uwg gra&ent procedures and the 4-31