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....
| मुख्य लेखक: | |
|---|---|
| स्वरूप: | थीसिस |
| भाषा: | अंग्रेज़ी |
| प्रकाशित: |
2017
|
| विषय: | |
| ऑनलाइन पहुंच: | http://eprints.utm.my/79552/1/TanAiPingPFS2017.pdf |