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Assessment of dispersion correction methods within density functional theory for energetic materials |
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| Authors: | Jun-Yu Fan Zhao-Yang Zheng Ji-Jun Zhao |
| Institution: | 1. Key Laboratory of Materials Modification by Laser, Electron and Ion Beams, Ministry of Education, Dalian University of Technology, Dalian, P.R. China;2. National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, Chinese Academy of Engineering Physics, Mianyang, P.R. China |
| Abstract: | |
| Keywords: | Energetic materials dispersion correction lattice energy bulk modulus assessment |