Potential Energy Surfaces Calculations for the Collisions
碩士 === 中國文化大學 === 應用化學研究所 === 91 === In this thesis, we study the reactions of Be* + H2 and Be* + CH4. The potential energy curves were calculated with MOLPRO 2000 package by the HF/CASSCF/MRCI level, where the basis set of Be atom and C atom is ROOS, and H atom is using the basis set which was esta...
| 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/56855590346716826742 |