Browsing Chemistry Faculty Research, Publications and Presentations by Title

Now showing items 78-97 of 233

  • Fractional Quantization of Molecular Pseudorotation in Na-3 

    DELACRETAZ, G., ER GRANT, RL WHETTEN, L. WOSTE, et al. 1986. "Fractional Quantization of Molecular Pseudorotation in Na-3." Physical Review Letters 56(24): 2598-2601. doi:10.1103/PhysRevLett.56.2598
    No abstract available.

  • Genomic analysis of stationary-phase and exit in Saccharomyces cerevisiae: Gene expression and identification of novel essential genes 

    Martinez, MJ, S. Roy, AB Archuletta, PD Wentzell, et al. 2004. "Genomic analysis of stationary-phase and exit in Saccharomyces cerevisiae: Gene expression and identification of novel essential genes." Molecular biology of the cell 15(12): 5295-5305. doi:10.1091/mbc.E03-11-0856
    Most cells on earth exist in a quiescent state. In yeast, quiescence is induced by carbon starvation, and exit occurs when a carbon source becomes available. To understand how cells survive in, and exit from this state, ...

  • Gold(i) sulfide: unusual bonding and an unexpected computational challenge in a simple solid 

    Santamaría-Pérez, D.; Daisenberger, D.; Ruiz-Fuertes, Marqueño, T.; Chulia-Jordan, R; Muehle, C.; Jansen, M.; Rodriguez-Hernandez, P.; Muñoz, A.; Johnson, Erin; and Otero de la Roza, Alberto. (2019). Gold(i) sulfide: unusual bonding and an unexpected computational challenge in a simple solid. Chemical Science, 10, 6467-6475. http://dx.doi.org/10.1039/C9SC00371A

  • The heat capacities of thermomiotic ScF3 and ScF3–YF3 solid solutions 

    Journal of Materials Science May 2015, Volume 50, Issue 9, pp 3409-3415
    Scandium trifluoride (ScF3) exists in a cubic ReO3 structure that exhibits negative thermal expansion from 10 to 1100 K, while substituted Sc1−x Y x F3 materials display the same behavior at room temperature but transition ...

  • Heat capacity of gadolinium near the Curie temperature. 

    Bednarz, Grzegorz, D. J. W. Geldart, and Mary Anne White. 1993. "Heat capacity of gadolinium near the Curie temperature.." Physical Review B: Condensed Matter and Materials Physics 47(21): 14247-14259. Copyright © 1993 American Physical Society.
    High-resoln. ac calorimetric data near the Curie point are reported for several single crystals of gadolinium. The crit. temp. and the shape of the heat-capacity curve near Tc both depend on the sample-prepn. procedure, ...

  • Heat capacity, lattice dynamics, and thermodynamic stability of the negative thermal expansion material HfMo2O8 

    Kennedy, Catherine A., Mary Anne White, Angus P. Wilkinson, and Tamas Varga. 2007. "Heat capacity, lattice dynamics, and thermodynamic stability of the negative thermal expansion material HfMo2O8." Physical Review B 75(22): 224302-224302. Copyright © 2007 American Physical Society.
    We explore the lattice dynamics of the negative thermal expansion material, cubic HfMo2O8, through analysis of its heat capacity (measured from 0.5 to 300 K) and its room-temperature Raman spectrum. Its heat capacity is ...

  • Heteroleptic zinc dipyrromethene complexes 

    Amiri, A., IM Comeau, and A. Thompson. 2006. "Heteroleptic zinc dipyrromethene complexes." Journal of Heterocyclic Chemistry 43(2): 431-435.
    H-1 NMR spectroscopy has been used to study the complexation of a per-alkyl dipyrromethene with zinc acetate. An intermediate, assigned to be the heteroleptic Zn(dipyrromethene) (acetate) complex, is observed under titration ...

  • High-resolution, high-sensitive ac calorimeter. 

    Bednarz, Grzegorz, Brian Millier, and Mary Anne White. 1992. "High-resolution, high-sensitive ac calorimeter.." Review of Scientific Instruments 63(8): 3944-3952.
    A high-resoln., high-sensitivity, automated ac calorimeter capable of heat capacity measurements of very small samples (m < 20 mg) with a temp. resoln. of a few mK in the ac mode is described. This calorimeter also can be ...

  • High-throughput resistivity apparatus for thin-film combinatorial libraries 

    Hewitt, KC, PA Casey, RJ Sanderson, MA White, et al. 2005. "High-throughput resistivity apparatus for thin-film combinatorial libraries." Review of Scientific Instruments 76(9): 093906-093906.
    An apparatus, capable of measuring the dc resistance versus temperature of a 49-member library prepared by thin-film deposition techniques was designed and tested. The library is deposited by dc magnetron sputtering onto ...

  • Honeycomb Compound Na3Ni2BiO6 as Positive Electrode Material in Na Cells 

    Lituo Zheng and M.N. Obrovac, Honeycomb Compound Na3Ni2BiO6 as Positive Electrode Material in Na Cells, J. Electrochem. Soc., 163 (2016) A2362-A2367.
    Honeycomb compound Na3Ni2BiO6 was synthesized and studied as positive electrode material in sodium cells for the first time. This material exhibits a reversible capacity of ∼80 mAh/g and an average voltage of ∼3.1 V, ...

  • Hydrothermally Deposited Carbon Coatings for Li-Ion Battery Active Materials Postprint 

    Published Version: Jun Wang, Yidan Cao and M.N Obrovac. Hydrothermally Deposited Carbon Coatings for Li-Ion Battery Active Materials. J.Electrochem. Soc. (2023). Accepted manuscript. https://doi.org/10.1149/1945-7111/acf0
    Hydrothermally deposited carbon coatings were evaluated for Li-ion battery materials. The applied coatings were found to be highly uniform and porous, with a density of 1.89 g/ml and a surface area of 370 m2/g. In lithium ...

  • Implications of finite-size and surface effects on nanosize intercalation materials 

    Obrovac, MN, and JR Dahn. 2000. "Implications of finite-size and surface effects on nanosize intercalation materials." Physical Review B 61(10): 6713-6719.
    A Monte Carlo simulation of a two-dimensional lattice gas with free boundaries is used to study the effects of surface and size on the chemical potential-composition curves of intercalation compounds. In particular we are ...

  • Implications of measurement error structure on the visualization of multivariate chemical data: hazards and alternatives 

    Canadian Journal of Chemistry, 2018, 96(7): 738-748, https://doi.org/10.1139/cjc-2017-0730

  • An Improved Method for the Synthesis of F-BODIPYs from Dipyrrins and Bis(dipyrrin)s 

    Lundrigan, T., Baker, A. E., Longobardi, L. E., Wood, T. E., Smithen, D. A., Crawford, S. M., ... & Thompson, A. (2012). An Improved Method for the Synthesis of F-BODIPYs from Dipyrrins and Bis (dipyrrin) s. Organic letters, 14(8), 2158-2161. DOI: 10.1021/ol300681w
    An improved methodology for the synthesis of F-BODIPYs from dipyrrins and bis(dipyrrin)s is reported. This strategy employs lithium salts of dipyrrins as intermediates that are then treated with only one equivalent of boron ...

  • Improved Quantitative Crystal-Structure Comparison using Powder Diffractograms via Anisotropic Volume Correction 

    CrystEngComm 23, 7118-7131 (2021)

  • Influence of B-Ring Modifications on Proton Affinity, Transmembrane Anion Transport and Anti-Cancer Properties of Synthetic Prodigiosenes 

    Marchal, E., Rastogi, S., Thompson, A., & Davis, J. T. (2014). Influence of B-ring modifications on proton affinity, transmembrane anion transport and anti-cancer properties of synthetic prodigiosenes. Organic & biomolecular chemistry, 12(38), 7515-7522. doi: 10.1039/c4ob01399a.
    Prodigiosin is the parent compound of the tripyrrolic natural products known as the prodigiosenes. Some of these natural products and their synthetic analogs show anti-cancer, immunosuppressive and antimicrobial actions, ...

  • Influence of sample oxidation on the nature of optical luminescence from porous silicon 

    Coulthard, I., WJ Antel, JW Freeland, TK Sham, et al. 2000. "Influence of sample oxidation on the nature of optical luminescence from porous silicon." Applied Physics Letters 77(4): 498-500.
    No abstract available.

  • Inorganic Compounds as Binders for Si-Alloy Anodes 

    Congxiao Wei and M. N. Obrovac. Inorganic Compounds as Binders for Si-Alloy Anodes. J. Electrochem. Soc. (2021), 168(2), 020505.
    The inorganic compounds, lithium polysilicate (Li2Si5O11), sodium polyphosphate ((NaPO3)n), and lithium phosphate monobasic (H2LiPO4) were investigated as the sole binders in Si-alloy and graphite electrodes for Li cells. ...

  • Interplay between London Dispersion, Hubbard U, and Metastable States for Uranium Compounds 

    M. S. Christian, E. R. Johnson, T. M. Besmann, Interplay between London Dispersion, Hubbard U, and Metastable States for Uranium Compounds, J. Phys. Chem. A 125, 2791–2799 (2021)

  • Interrogating the Becke’05 density functional for non-locality information 

    J. Chem. Phys. 147, 154103 (2017)