Browsing by Author "Balbuena, Perla B."
Now showing items 1-20 of 28
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Cao, Yihan (2021-08-18)Pincer ligands are commonly utilized in the design of transition metal catalysts. Our group recently reported the synthesis of diarylboryl-based Ir and Rh complexes, which feature an X-type boryl ligand that is Lewis acidic. ...
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Pell, Christopher James (2017-08-16)Due to the utility of organoboron reagents in the synthesis of pharmaceuticals and other industrially relevant compounds, the transition metal-catalyzed C-H borylation of organic molecules has become a very popular area ...
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Tong, Yicheng (2023-06-07)With the significant achievements in quantum mechanical methodologies, such as Hartree-Fock-Roothaan (HFR) Theory and Density Functional Theory (DFT), along with the boost in computational power, the field of computational ...
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Praserthdam, Supareak (2018-06-04)The dry reforming reaction of methane (DRR) is one of the solutions utilized to deal with the global warming via the catalyzed reaction of the main greenhouse gas: carbon dioxide (COv2) with methane (CHv4), to produce the ...
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Tarazona Vasquez, Francisco (2009-05-15)Metal ions are important for medical, environmental and catalytic applications. They are used as precursor molecules for the manufacture of metal nanocatalysts, which are promising materials for an array of biomedical, ...
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Bellido Sosa, Edson (2012-02-14)Graphene is a promising material for many technological applications. To realize these applications, new fabrication techniques that allow precise control of the physical properties, as well as large scale integration ...
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Balasubramanian, Priyadarshini (2017-07-24)CO2 emissions from electricity generation have increased by 50% between 2000 and 2013. Large-scale carbon capture and storage is still not deployed for reasons including high cost, technological barriers and uncertainty ...
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Wu, Hung-Jen (Texas A&M University, 2006-08-16)In this dissertation, we describe a novel method that we call Diffusing Colloidal Probe Microscopy (DCPM), which integrates Total Internal Reflection Microscopy (TIRM) and Video Microscopy (VM) methods to monitor three ...
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Badreldin, Ahmed Sherif El Sayed Mohamed (2023-05-04)Hydrogen (H2) is central into key industrial processes and is widely used as a feedstock in the production of various chemicals. In addition, its compelling properties as an energy carrier make H2 a promising candidate for ...
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Hirunsit, Pussana (2009-05-15)Classical molecular dynamics (MD) simulations are performed to study structural and dynamic properties of water confined within graphite surfaces. The surfaces are separated at distances varying between 7 and 14.5 Å and ...
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Hung, Ming-Uei (2021-08-18)Metal-catalyzed cross-coupling reactions of aryl halides or pseudohalides with nucleophiles have been ubiquitous and powerful tools to construct new C–C bonds in synthetic organic chemistry. Among the nucleophiles, arylboronic ...
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Hemi-Labile, Redox Active Metallodithiolates as Ligands for Bioinspired Proton Reduction Catalysts Ghosh, Pokhraj (2017-12-08)The versatile organometallic type active sites in biology that harbor intact metallo-sulfur units are key The versatile organometallic type active sites in biology that harbor intact metallo-sulfur units are key inspirations ...
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Atilhan, Mert (2009-06-02)Highly accurate density data is required for engineering calculations to make property estimations in natural gas custody transfer through pipelines. It is also essential to have accurate pressure-volume-temperature (PVT) ...
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Tan, Jian (2022-04-22)Lithium-ion batteries are widely used in portable electronics, electrical vehicle, stational power grid and many other applications, owing to the high energy density, high power density and good cyclability. The rapidly ...
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Kumar, Hans (2009-05-15)Two separate mechanistic kinetic models have been developed for the hydrocracking of complex feedstocks. The first model is targeted for the hydrocracking of vacuum gas oil. The second one addresses specifically the ...
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Junkaew, Anchalee (2013-11-26)Magnesium (Mg) based materials are now some of the most promising materials for hydrogen storage due to their light weight and high hydrogen capacity. Their most significant limitation, however, is the high de-hydrogenation ...
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Lamonte, Kevin Anthony (2009-05-15)Hydrogen storage has been identified as a primary bottleneck in the large-scale implementation of a hydrogen-based economy. Many research efforts are underway to both improve the capacity of existing hydrogen storage systems ...
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Han, Kunwoo (2009-06-02)We apply a molecular dynamics (MD) simulation technique to complex molecules at interfaces. Partitioning of dendritic surfactants into clay gallery and Ab protein behavior near hydrated lipids are chosen for the purpose. ...
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Atilhan, Selma (2009-05-15)Nanocomposites refer to the materials in which the defining characteristic size of inclusions is in the order of 10-100nm. There are several types of nanoparticle inclusions with different structures: metal clusters, ...
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Ramirez Caballero, Gustavo (2012-02-14)Density functional theory is used to study the physico-chemical effects of two metallic thin films separated by distances in a range of 4-10 amperes. In this condition, the electrons from the metallic thin film surfaces ...