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....
Saved in:
| Main Author: | |
|---|---|
| Format: | Thesis |
| Language: | English |
| Published: |
2017
|
| Subjects: | |
| Online Access: | http://eprints.utm.my/id/eprint/79552/1/TanAiPingPFS2017.pdf |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Be the first to leave a comment!