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Density Functional Theory
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Navigating the intricacies of the molecular structure-function relationship at the interface of chemistry, biology, and physics
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Year
Spring 2025
1
School
Laney Graduate School
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Department / Specialty
Chemistry
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Degree
Ph.D.
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Submission Type
Dissertation
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Research Field
Chemistry, Biochemistry
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Chemistry, Inorganic
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Chemistry, Physical
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Committee
Davis, Katherine, Emory University
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Dyer, Brian, Emory University
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Heaven, Michael, Emory University
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Keyword
Density Functional Theory
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Molecular Dynamics
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carbene
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crystallography
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glycopeptide antibiotics
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