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| 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 |
 |
Ding, Hepeng | First-principles density functional theory study to aid understanding of the effects of doping-induced defects in materials used for solid oxide fuel cells | Computational; Defect; Density functional theory; First principles; Oxide; Solid oxide fuel cells | 2014-08 | dissertation |
| 3 |
 |
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 |
| 4 |
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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 |
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