Ab Initio Study of the Potential Energy Surface and the RRKM Calculations in the Reactions of Astrophysics
博士 === 國立臺灣大學 === 化學研究所 === 89 === The potential energy surface for the reactions of C(3Pj) with 1,3-butadiene, 1,2-butadiene and 2-butyne and the photodissociation of carbonyl cyanide have been investigated using the G2M method. We also employ RRKM and variational RRKM method to calculate their rat...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Others |
| Language: | zh-TW |
| Published: |
2001
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| Online Access: | http://ndltd.ncl.edu.tw/handle/05251559250879022569 |