Molecular Dynamics Simulations of Methane Fluids using Quantum Chemistry Calculated Intermolecular Interactions
碩士 === 國立臺灣大學 === 應用力學研究所 === 95 === We have calculated the intermolecular interaction potentials of the methane dimer at the minimum-energy D3d conformation using the Hartree-Fock (HF) self-consistent theory, the correlation-corrected second-order Møller-Plesset (MP2) perturbation theory and the de...
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| Format: | Others |
| Language: | zh-TW |
| Published: |
2007
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| Online Access: | http://ndltd.ncl.edu.tw/handle/26363397626487146671 |