Potential Energy Surfaces Calculations for the Collisions of an Alkali or Alkaline Earth Metal Atom with Small Molecules or Carbon Containing Free Radicals
碩士 === 中國文化大學 === 應用化學研究所 === 91 === In this study, we reported the properties at M* + CH and M* + C2H2, where M is either an alkali（Li）or alkaline（Be）metal atom. Electronic energies along the proposed reaction coordinates have been calculated at the CASSCF level using the ROOS basis set. Li（22P） +...
| Main Authors: | , |
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| Format: | Others |
| Language: | zh-TW |
| Published: |
2003
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| Online Access: | http://ndltd.ncl.edu.tw/handle/79509899147696416690 |