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College of Science
3
Department
Chemistry
3
Publication Type
dissertation
3
Subject
Density functional theory
3
Bioinformatics
1
Bond energies
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Chemical shift tensors
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Chemistry
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Crystal structure prediction
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DFT
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Genetic algorithms
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Ion-molecule reactions
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MGAC
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NMR
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Nuclear magnetic resonance
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Parallelism
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Polymorphism
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Solid-state NMR
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Strained molecular systems
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Thermochemistry
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Transition metal
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Department:
"Chemistry"
Publication Type:
"dissertation"
School Or College:
"College of Science"
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ir_etd
Subject:
"Density functional theory"
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Title
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Type
1
Enhancements to the modified genetic algorithm for crystal structure prediction
ir_etd
Text
2
Guided ion beam tandem mass spectrometer and theoretical studies of third-row transition metal ions Hf+, Ta+, W+, and Os+
ir_etd
Text
3
Quantum mechanics and experimental solid-state nuclear magnetic resonance analysis of strained molecular systems
ir_etd
Text
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