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Some of the material in is restricted to members of the community. By logging in, you may be able to gain additional access to certain collections or items. If you have questions about access or logging in, please use the form on the Contact Page.
A key challenge for modern chemistry is the production of mesoscopic complexity and hierarchical order to ultimately bridge the gap between the molecular world and functional microdevices. As proof of concept, nature shows unambiguously...
Species interactions can regulate a population’s density and therefore can act as a selective force on that population. Such evolutionary responses have the potential to feedback and change ecological interactions between species. For...
Psychophysiology research pertaining to affective processing has commonly utilized experimental tasks that present pictures of emotional salience in addition to non-emotional content pictures. The most common picture set used in...
A new polyene cyclization strategy exploiting β-ionyl derivatives was developed. Photoinduced deconjugation of the extended π-system within these chromophores unveils a contrathermodynamic polyene that engages in a Heck bicyclization to...
Bayesian additive regression trees(BART) provides flexible approach to fitting a variety of regression models while avoiding strong parametric assumptions. The sum-of-trees model is embedded in a Bayesian inferential framework to support...
The use of photochemistry in organic synthesis has enable chemists to build structural complexity into molecules that is either difficult or impossible to achieve using traditional thermal methods. Using light as a reagent is a desirable...
Development and Application of the Variational Two-Electron Reduced Density Matrix Complete Active Space Self-Consistent Field Method to Address the Electron Correlation Problem in Quantum Chemistry
The goal of this dissertation is to describe a series of developments and applications of the variational two-electron reduced density matrix (v2RDM-) complete active space self-consistent field (CASSCF) method to the electron...
Neurodegenerative diseases affect large portions of the population worldwide and account for a significant portion of medical spending in associated costs. This dissertation will attempt to utilize graph theory and Magnetic Resonance...
Over 232, 000 women will be diagnosed with breast cancer in 2014 in the United States, and approximately 40, 000 women will die from this disease. Similarly, it is estimated that 230, 000 men will be diagnosed with prostate cancer in the...
We create a novel framework to enable the exploration of spatial calcium dynamics in astrocytes via compartmentalization of the cell domain. The cell is split up into spatially partitioned compartments representing sub-cellular domains...
Owing to the onset of applications of technological devices in our everyday life, lanthanide elements are becoming continuously important. Traditionally known as rare earth metals, lanthanides (Ln) are categorized as critical materials...
This dissertation introduces a nonparametric regression approach for multivariate skewed responses using Bayesian additive regression trees (BART). Existing BART methods use ensembles of decision trees to model a mean function, and have...
Solid-state nuclear magnetic resonance (SSNMR) is a powerful tool for the study of chemical structure and dynamics. The interactions that manifest in NMR spectra are anisotropic (i.e., orientation dependent) in origin, often resulting in...
Some of the material in is restricted to members of the community. By logging in, you may be able to gain additional access to certain collections or items. If you have questions about access or logging in, please use the form on the Contact Page.