Index Catalog // Emory Theses and Dissertations

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Filtering by: Keyword molecular dynamics Keyword potential energy surface

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1. Ab initio Molecular Potential Energy Surface Constructionand Molecular Dynamics Simulation for Small Molecules

Student Name:: Xie, Zhen
Date Uploaded:: 08/28/2018
Research Field:: Chemistry, Physical
Department or Specialty:: Chemistry

2. Potential energy surface and applications to carbon dioxide-water, carbon dioxide clathrate hydrate and hydrated HCl system

Student Name:: Qingfeng Wang
Date Uploaded:: 04/02/2018
Research Field:: Chemistry, Physical
Department or Specialty:: Chemistry