Temporary Anion States of Selected Cyclodienes by Stabilized Koopmans’ Theorem in Long-Range Corrected Density Functional Theory
碩士 === 東海大學 === 化學系 === 101 === To investigate the resonance energies and lifetimes of temporary anion states of cyclodienes, 1,4-cyclohexadiene, norbornadiene, 1,3-cyclohexadiene and 1,5-cyclooctadiene, long-range corrected density functional theory (LRC-DFT) is adopted in this article. Their value...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Others |
| Language: | zh-TW |
| Published: |
2013
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| Online Access: | http://ndltd.ncl.edu.tw/handle/00681208524149906637 |