Dual-Level Direct Dynamics Calculation with Improved Interpolated Correction Schemes
碩士 === 國立中正大學 === 化學研究所 === 88 === ABSTRACT We have performed dual-level dynanic study on the Diels-Alder reaction of cyclopentadiene and cyclohexadiene with cis-Methyl Vinyl Ketone using variational transition state theory with tunneling. And has yielded good agreement with av...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Others |
| Language: | zh-TW |
| Published: |
2000
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| Online Access: | http://ndltd.ncl.edu.tw/handle/20986450889097709454 |