Molecular Dynamics Simulations of Tetrahedral Molecule Dimers Properties Using Ab Initio Intermolecular Interaction Potentials
博士 === 臺灣大學 === 應用力學研究所 === 98 === In this study, intermolecular interaction energy data for the tetrahedral molecule dimers have been calculated at a spectroscopic accuracy and employed to construct an ab initio potential energy surface (PES) for molecular dynamics (MD) simulations of tetrahedral m...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Others |
| Language: | en_US |
| Published: |
2010
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| Online Access: | http://ndltd.ncl.edu.tw/handle/49545779587649352345 |