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An ab Initio study of conformational properties of (Z,Z)-, (E,Z)- and (E,E)-cycloocta-1,5-diene |
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| Authors: | I. Yavari H. Kabiri-Fard S. Moradi |
| Affiliation: | 1. Department of Chemistry, Science & Research Campus, Islamic Azad University, Ponak, Tehran, Iran 3. Department of Chemistry, Tarbiat Modarres University, PO Box 14115-175, Tehran, Iran 2. Department of Chemistry, Islamic Azad University, North Tehran Branch, Tehran, Iran |
| Abstract: | Ab initio calculations at HF/6-31G* level of theory for geometry optimization and MP2/6-31G*//HF/6-31G* for a single point total energy calculation are reported for the three geometrical isomers of cycloocta-l,5-diene 1–3. |
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