Theses & Dissertations
 
Filters: Format: "application/pdf" Collection: "ir_etd" Subject: "Density functional theory"
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AuthorTitleSubjectDatePublication Type
1 Halling, Merrill DavidQuantum mechanics and experimental solid-state nuclear magnetic resonance analysis of strained molecular systemsStrained molecular systems; Chemical shift tensors; Density functional theory; DFT; NMR; Nuclear magnetic resonance; Solid-state NMR2011-12dissertation
2 Lund, Albert MerrillEnhancements to the modified genetic algorithm for crystal structure predictionCrystal structure prediction; Density functional theory; Genetic algorithms; MGAC; Parallelism; Polymorphism; Chemistry; Bioinformatics2016dissertation
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