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School Or College
College of Science
3
Department
Chemistry
3
Publication Type
dissertation
3
Subject
Density functional theory
3
Bioinformatics
1
Bond energies
1
Chemical shift tensors
1
Chemistry
1
Crystal structure prediction
1
DFT
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Genetic algorithms
1
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
1
Solid-state NMR
1
Strained molecular systems
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Thermochemistry
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Transition metal
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Subject:
"Density functional theory"
School Or College:
"College of Science"
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"ir_etd"
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Title
Setname
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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