Potential Energy Surface Calculations for the Collision of Lithium Atom and NH Free Radical
碩士 === 中國文化大學 === 應用化學研究所 === 95 === In this study, we calculated the doublet potential energy curves of Li atom colliding with NH free radical at the HF/CASSCF/MRCI level. The software used in this work is the MOLPRO 2K.2 quantum chemistry packages in own laboratory and the national center of high...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Others |
| Language: | zh-TW |
| Published: |
2006
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| Online Access: | http://ndltd.ncl.edu.tw/handle/81644056590441285028 |