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Development and Applications of Orthogonality Constrained Density Functional Theory for the Accurate Simulation of X-Ray Absorption Spectroscopy
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Year
2017
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School
Laney Graduate School
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Department / Specialty
Chemistry
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Degree
PhD
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Submission Type
Dissertation
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Chemistry, General
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Chemistry, Physical
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Physics, Molecular
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Bowman, Joel M, Emory University
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Evangelista, Francesco, Emory University
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Widicus Weaver, Susanna, Emory University
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Absorption
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Constrained
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Density
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