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potential energy surface
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Ab initio Molecular Potential Energy Surface Constructionand Molecular Dynamics Simula...
Quantum Mechnical Study of Molecular Processes: From Gas Phase to Nano Phase
Potential energy surface and applications to carbon dioxide-water, carbon dioxide clat...
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Year
2008
2
Spring 2018
1
School
Laney Graduate School
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Department
Chemistry
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Degree
PhD
2
M.S.
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Submission Type
Dissertation
2
Master's Thesis
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Research Field
Chemistry, Physical
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Committee
Bowman, Joel M, Emory University
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Kindt, James, Emory University
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Bowman, Joel, Emory University
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Evangelista, Francesco, Emory University
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Heaven, Michael, Emory University
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Keyword
potential energy surface
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molecular dynamics
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MULTIMODE
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QM/MD simulation
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SiC surface
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