Quantum Chemistry Calculated Intermolecular Interaction and Molecular Dynamics Simulation of Dichloromethane
碩士 === 國立臺灣大學 === 應用力學研究所 === 107 === In the quantum chemical calculation part, we use Hartree-Fock self-consistent theory(HF), second-order Møller-Plesset perturbation theory(MP2), Density Functional Theory (DFT), and Coupled Cluster method (CC). We use these four theories to calculate the intermol...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Others |
| Language: | zh-TW |
| Published: |
2019
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| Online Access: | http://ndltd.ncl.edu.tw/handle/9n9e9x |