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Filters: Subject: "Density functional theory" School Or College: "College of Science" Collection: ir_etd
1 - 25 of 3
| Author | Title | Subject | Date | Publication Type | ||
|---|---|---|---|---|---|---|
| 1 |
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Lund, Albert Merrill | Enhancements to the modified genetic algorithm for crystal structure prediction | Crystal structure prediction; Density functional theory; Genetic algorithms; MGAC; Parallelism; Polymorphism; Chemistry; Bioinformatics | 2016 | dissertation |
| 2 |
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Hinton, Christopher | Guided ion beam tandem mass spectrometer and theoretical studies of third-row transition metal ions Hf+, Ta+, W+, and Os+ | Bond energies; Density functional theory; Ion-molecule reactions; Thermochemistry; Transition metal | 2013-08 | dissertation |
| 3 |
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Halling, Merrill David | Quantum mechanics and experimental solid-state nuclear magnetic resonance analysis of strained molecular systems | Strained molecular systems; Chemical shift tensors; Density functional theory; DFT; NMR; Nuclear magnetic resonance; Solid-state NMR | 2011-12 | dissertation |
1 - 25 of 3