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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| Main Author: | |
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| Format: | Thesis |
| Language: | English |
| Published: |
2017
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| Subjects: | |
| Online Access: | http://eprints.utm.my/id/eprint/79552/1/TanAiPingPFS2017.pdf http://eprints.utm.my/id/eprint/79552/ |
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| Institution: | Universiti Teknologi Malaysia |
| Language: | English |