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Chiral Transition Metal Complexes under Resonance: Mechanism of a New Form of Chiral Raman Spectroscopy
DownloadFall 2023
My PhD thesis primarily focuses on exploring chiroptical events and signatures of chiral transition metal complexes when they are under (near) resonance conditions. To achieve this goal, multiple chiroptical spectroscopic techniques were utilized, aided by theoretical calculations. These...
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Classifying Crystal Structures of Binary Compounds AB through Cluster Resolution Feature Selection and Support Vector Machine Analysis
Download2016
Adutwum, Lawrence A. , Harynuk, James, Mar, Arthur, Oliynyk, Anton O.
Partial least-squares discriminant analysis (PLS-DA) and support vector machine (SVM) techniques were applied to develop a crystal structure predictor for binary AB compounds. Models were trained and validated on the basis of the classification of 706 AB compounds adopting the seven most common...
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Fall 2018
Climate change is likely one of the key challenges of the 21st Century for it could impact the livelihood, water and food security, economic growth and social well beings of countries worldwide. In recent decades the water resource of the Nile River Basin (NRB) has suffered from increasing...
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2015-08-01
Psychological assessment of the aesthetic value of textiles is subjective and can vary according to warmth, physical sensations, social perceptions, body image,1 seasonal experiences, and pressure comfort.2 However, the visual senses have a universal impact on determining aesthetics, particularly...
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2018-10-01
When Superman debuted in the 1930s, the superhero quickly gained the nickname "Man of Steel" because he was invulnerable, as if he was wearing strong, impenetrable steel armor. But if Superman were created these days, maybe he would have to be called the "Man of Fiber-Reinforced Polymer...
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Fall 2018
General Purpose computing with Graphics Processing Units (GPGPU) is a method of com-putation that allows for calculations to be performed in parallel. Graphics Processing Units(GPU) allow a single basic computer to perform as well as a super computer cluster composedof only Central Processing...
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Computational Investigation of Electrical Conductivities and Magnetism of Phosphonate Metal-Organic Frameworks and Frontier Orbital Gaps, Structure, and Proton Transfer Mechanisms in Phosphonate Hydrogen-Bonded Organic Frameworks
DownloadSpring 2024
The study of metal-organic frameworks (MOFs) and hydrogen-bonded organic frameworks (HOFs) has gained much interest over the last decade. MOFs and HOFs are constructed through the self-assembly of organic building units and metals (in the case of MOFs), giving rise to a diverse range of...