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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主要作者: Tan, Ai Ping
格式: Thesis
语言:English
出版: 2017
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在线阅读:http://eprints.utm.my/id/eprint/79552/1/TanAiPingPFS2017.pdf
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