Quantum Chemistry Calculated Intermolecular Interaction and Molecular Dynamics Simulation of Cyclopropane
碩士 === 國立臺灣大學 === 應用力學研究所 === 105 === The first topic of this research is quantum chemistry calculation to cyclopropane. We have calculated the intermolecular interaction energy of the cyclopropane dimer with Hatree-Fock self-consistent theory(HF), second-order M?ller-Plesset perturbation theory(MP2...
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| Format: | Others |
| Language: | zh-TW |
| Published: |
2016
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| Online Access: | http://ndltd.ncl.edu.tw/handle/30300280241269511032 |