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potential energy surface
删除限定条件 Keyword: potential energy surface
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Ab initio Molecular Potential Energy Surface Constructionand Molecular Dynamics Simulation for Small Molecules
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Quantum Mechnical Study of Molecular Processes: From Gas Phase to Nano Phase
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Potential energy surface and applications to carbon dioxide-water, carbon dioxide clathrate hydrate and hydrated HCl system
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Year
2008
2
Spring 2018
1
School
Laney Graduate School
3
Department / Specialty
Chemistry
3
Degree
PhD
2
M.S.
1
Submission Type
Dissertation
2
Master's Thesis
1
Research Field
Chemistry, Physical
3
Committee
Bowman, Joel M, Emory University
2
Kindt, James, Emory University
2
Bowman, Joel, Emory University
1
Evangelista, Francesco, Emory University
1
Heaven, Michael, Emory University
1
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Keyword
potential energy surface
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molecular dynamics
2
MULTIMODE
1
QM/MD simulation
1
SiC surface
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