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....

书目详细资料
主要作者:	Tan, Ai Ping
格式:	Thesis
语言:	英语
出版:	2017
主题:	QA Mathematics
在线阅读:	http://eprints.utm.my/79552/1/TanAiPingPFS2017.pdf

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