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QM/MD simulation
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Quantum Mechnical Study of Molecular Processes: From Gas Phase to Nano Phase
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Year
2008
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School
Laney Graduate School
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Department
Chemistry
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Degree
PhD
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Submission Type
Dissertation
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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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Morokuma, Keiji, Emory University
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Keyword
QM/MD simulation
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SiC surface
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ab initio
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