A new hydrocarbon empirical potential for molecular dynamics simulation
Molecular dynamics utilize energy model to solve the Newton’s equation of motion for a system of interacting particles. Ab-initio, semi-empirical and empirical approaches have been reported as main approaches to compute total energy of a system for describing its molecular structures and properties....
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| Format: | Thèse |
| Langue: | anglais |
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2017
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| Accès en ligne: | http://eprints.utm.my/79552/1/TanAiPingPFS2017.pdf |