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  • Polylcaprolactone-Based Microfluidic Devices : Fabrication Methods and Applications in Low-Cost Analytical Devices

    Creator:
    Heist, Christopher A.
    Abstract:
    The overall concept of reducing laboratory operations to a scale that fits on a single microfluidic chip has been an attractive area of research over the last several decades. Despite a surge in research, few commercial success stories have been written. Lab-on-a-chip technologies have the capability to be cost effective...
    Resource Type:
    Dissertation
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    with the School of Electrical Engineering and Computer Science at Oregon State University

  • Strategic Application of Computations to Diverse Chemical Systems

    Creator:
    Brueckner, Alexander C.
    Abstract:
    My work has focused on streamlining the study of organic compound structure, properties, and reactions by 1) understanding and using available computational software, 2) developing software packages to facilitate data manipulation as well as augment public programs, and 3) applying public and in-house developed software to further the understanding of...
    Resource Type:
    Dissertation
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    Steps for All Conformational Searches The convenience of modern computer hardware and software

  • Zero Kinetic Energy Photoelectron Spectroscopy of Polycyclic Aromatic Hydrocarbons

    Creator:
    Harthcock, Colin
    Abstract:
    In this dissertation, I describe spectroscopic studies of jet-cooled polycyclic aromatic hydrocarbons (PAH) and one nitrogen substituted PAH (PANH) using pulsed field zero kinetic energy (ZEKE) photoelectron spectroscopy and resonantly enhanced multiphoton ionization (REMPI) spectroscopy. Recently, there has been a demand for far-infrared (FIR) spectral information of astrophysically relevant molecules...
    Resource Type:
    Dissertation
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    using the Gaussian software package can typically reproduce the ZEKE spectrum obtained from the

  • Removal of Radioactive Strontium, Iodine, and Uranium from Contaminated Groundwater : Sorption Processes and Properties

    Creator:
    Leonard, Mary E.
    Abstract:
    Iodine-129 is a key risk driver at sites where nuclear materials have been fabricated or processed, and it is a predominant isotope of concern in long-term waste storage strategies. I-129 exists primarily as iodate in the subsurface at the Hanford Site in south-central Washington State. Between 15 and 40% of...
    Resource Type:
    Dissertation
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    performed with two geochemical modelling software packages, MINTEQ and PHREEQC. Results of the simulations

  • Expediting the Generation and Analysis of Amorphous Oxide Computational Models: Modeling Complex Systems Swiftly

    Creator:
    Buchanan, Jacob C.
    Abstract:
    In this dissertation, the process of computational modeling of amorphous oxide materials is studied. Amorphous oxides have random atomic arrangements with no long-range structural order which makes it difficult to study structure-property relationships. Despite the difficulties, amorphous oxides have great uses as semiconductors and dielectrics in thin-film transistors. The ability...
    Resource Type:
    Dissertation
    Full Text:
    -initio Simulation Package (VASP) GPU accelerated software .................... 52 6.1 Abstract

  • Electronic and relativistic contributions to ion-pairing in polyoxometalate model systems

    Creator:
    Sures, Dylan J., Serapian, Stefano A., Kozma, Károly, Molina, Pedro I., Bo, Carles, and Nyman, May
    Abstract:
    Ion pairs and solubility related to ion-pairing in water influence many processes in nature and in synthesis including efficient drug delivery, contaminant transport in the environment, and self-assembly of materials in water. Ion pairs are difficult to observe spectroscopically because they generally do not persist unless extreme solution conditions are...
    Resource Type:
    Article
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    software.41 Simulated PDF data were obtained with the solX software42 using the appropriate parameters

  • Probing Aqueous Ion-Pairing and Speciation of Group V Polyoxometalates

    Creator:
    Sures, Dylan J.
    Abstract:
    Polyoxometalates are discrete anionic oxo clusters of the Group V and VI transition metals that can be conceptualized as molecular metal oxides. Because they are pairable with any alkali cation, a great deal of fundamental chemistry can be gleaned from their study, including solubility trends and insight into cation binding...
    Resource Type:
    Dissertation

  • Prediction and Measurement of Polycyclic Aromatic Hydrocarbons (PAHs) Transformation Products in the Environment.

    Creator:
    Titaley, Ivan A.
    Abstract:
    Polycyclic aromatic hydrocarbons (PAHs) are a group of environmental contaminants consisting of fused benzene rings. Parent-PAHs, methylated-PAHs (MPAHs), and PAHs with molecular weight of 302 a.m.u (MW302-PAHs) are considered as unsubstituted-PAHs. These unsubstituted-PAHs undergo transformation reactions resulting in the formation of PAH-transformation products (PAH-TPs), or substituted-PAHs, including nitrated-, oxygenated-, and...
    Resource Type:
    Dissertation
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    non-targeted analysis. Dr. Paul Ha-Yeon Cheong provided expertise in computer programming and in

  • Dynamics of Uranyl Peroxide Nanocapsules

    Creator:
    Nyman, May and Alam, Todd M.
    Abstract:
    Discrete aqueous metal oxide polyionic clusters that include aluminum polycations, transition-metal polyoxometalates, and the actinyl peroxide clusters have captivated the interest of scientists in the realm of both their fundamental and applied chemistries. Yet the counterions for these polycations or polyanions are often ignored, even though they are imperative for...
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    Article
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    , 2001) software, respectively. Numerical absorption correction from face indexing was applied. The

  • Use of Targeted and Non-Targeted Analysis to Study Complex PAH Environmental Mixtures

    Creator:
    Chibwe, Leah
    Abstract:
    Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous contaminants formed from the incomplete combustion of organic material. These contaminants are of concern because of their widespread presence in the environment and toxic properties. In addition, PAHs encompass a class of diverse compounds with varying physicochemical properties and exist in the environment as...
    Resource Type:
    Dissertation
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    .............................................................................................................................7 1.5 Software and Computational Tools in Environmental Analysis