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Appropriate description of intermolecular interactions in the methane hydrates: An assessment of DFT methods |
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| Authors: | Yuan Liu Jijun Zhao Fengyu Li Zhongfang Chen |
| Affiliation: | 1. College of Advanced Science and Technology and School of Physics and Optoelectronic Technology, Dalian University of Technology, Dalian 116024, China;2. Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024, China;3. Department of Physics, University of Puerto Rico, San Juan, Puerto Rico 00923;4. Department of Chemistry, University of Puerto Rico, San Juan, Puerto Rico 00923 |
| Abstract: | |
| Keywords: | methane hydrate noncovalent interaction density functional calculations ab initio calculations |