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....

Full description

Saved in:
Bibliographic Details
Main Author: Tan, Ai Ping
Format: Thesis
Language:English
Published: 2017
Subjects:
Online Access:http://eprints.utm.my/id/eprint/79552/1/TanAiPingPFS2017.pdf
http://eprints.utm.my/id/eprint/79552/
Tags: Add Tag
No Tags, Be the first to tag this record!
Be the first to leave a comment!
You must be logged in first