Potential Energy Surface Calculations for the Collisions of an Alkali or Alkaline Earth Metal Diatomic Molecule with Carbon Containing Free Radicals
碩士 === 中國文化大學 === 應用化學研究所 === 91 === Abstract In this research, we discuss the collision reactions of Li2 + CH and Be2 + CH. The potential energy surface calculation is at the level of HF/CASSCF, in which the basis set for all atoms is cc-p VQZ. In Li2 + CH and Be2 + CH collision reaction...
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| Format: | Others |
| Language: | zh-TW |
| Published: |
2003
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| Online Access: | http://ndltd.ncl.edu.tw/handle/79612827227970242047 |