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  Partner: UNT College of Arts and Sciences
 Department: Chemistry
 Collection: UNT Scholarly Works
Arylpalladium Phosphonate Complexes as Reactive Intermediates in Phosphorus-Carbon Bond Forming Reactions

Arylpalladium Phosphonate Complexes as Reactive Intermediates in Phosphorus-Carbon Bond Forming Reactions

Date: January 21, 2009
Creator: Kohler, Mark C.; Grimes, Thomas V.; Wang, Xiaoping; Cundari, Thomas R., 1964- & Stockland, Robert A., Jr.
Description: Article discussing research on arylpalladium phosphonate complexes as reactive intermediates in phosphorus-carbon bond forming reactions.
Contributing Partner: UNT College of Arts and Sciences
ASPARTATE 458 of Human Glutathione Synthetase is Important for Cooperativity and Active Site Structure

ASPARTATE 458 of Human Glutathione Synthetase is Important for Cooperativity and Active Site Structure

Date: August 5, 2011
Creator: Brown, Teresa R.; Drummond, Michael L.; Barelier, Sarah; Crutchfield, Amanda S.; Dinescu, Adriana; Slavens, Kerri D. et al.
Description: Article discussing ASPARTATE 458 of human glutathione synthetase.
Contributing Partner: UNT College of Arts and Sciences
Atmospheric chemistry of isopropyl formate and tert-butyl formate

Atmospheric chemistry of isopropyl formate and tert-butyl formate

Date: August 21, 2009
Creator: Pimentel, Andre Silva; Tyndall, Geoffrey S. (Geoffrey Stuart) 1955-; Orlando, John J.; Hurley, Michale D.; Wallington, Timothy J.; Sulbaek Andersen, Mads Peter et al.
Description: Article on the atmospheric chemistry of isopropyl formate and tert-butyl formate.
Contributing Partner: UNT College of Arts and Sciences
Bad Pyrmont Spa

Bad Pyrmont Spa

Date: Winter 2015
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Description: Photo depicts the Bad Pyrmont Spa in western Germany which is known for its therapeutic baths and vapor cave. The paragraph on the bottom of page 70 gives details about the photo and the spa.
Contributing Partner: UNT College of Arts and Sciences
Band Engineering and Magnetic Doping of Epitaxial Graphene on SiC (0001)

Band Engineering and Magnetic Doping of Epitaxial Graphene on SiC (0001)

Date: April 9, 2010
Creator: Jayasekera, Thushari; Kong, Byoung Don; Kim, Ki Wook & Buongiorno Nardelli, Marco
Description: Article on band engineering and magnetic doping of epitaxial graphene on SiC (0001).
Contributing Partner: UNT College of Arts and Sciences
Band Structure and Quantum Conductance of Nanostructures from Maximally Localized Wannier Functions: The Case of Functionalized Carbon Nanotubes

Band Structure and Quantum Conductance of Nanostructures from Maximally Localized Wannier Functions: The Case of Functionalized Carbon Nanotubes

Date: August 12, 2005
Creator: Lee, Young-Su; Buongiorno Nardelli, Marco & Marzari, Nicola
Description: Article on band structure and quantum conductance of nanostructures from maximally localized Wannier functions.
Contributing Partner: UNT College of Arts and Sciences
Benzo[ghi]perylene versus Pyrene as Solute Probes for Polarity Determination of Liquid Organic Salts Used in Chromatography

Benzo[ghi]perylene versus Pyrene as Solute Probes for Polarity Determination of Liquid Organic Salts Used in Chromatography

Date: 1988
Creator: Street, Kenneth W.; Acree, William E. (William Eugene); Poole, Colin F. & Shetty, Prabhakara H.
Description: Article on benzo[ghi]perylene versus pyrene as solute probes for polarity determination of liquid organic salts used in chromatography.
Contributing Partner: UNT College of Arts and Sciences
Beyond platinum: synthesis, characterization, and in vitro toxicity of Cu(II)-releasing polymer nanoparticles for potential use as a drug delivery vector

Beyond platinum: synthesis, characterization, and in vitro toxicity of Cu(II)-releasing polymer nanoparticles for potential use as a drug delivery vector

Date: July 11, 2011
Creator: Harris, Alesha N.; Hinojosa, Barbara R.; Chavious, Montaleé D. & Petros, Robby A.
Description: Article on synthesis, characterization, and in vitro toxicity of Cu(II)-releasing polymer nanoparticles for potential use as a drug delivery vector.
Contributing Partner: UNT College of Arts and Sciences
Binder Enhanced Refuse Derived Fuel

Binder Enhanced Refuse Derived Fuel

Date: April 12, 1995
Creator: Daugherty, Kenneth E.; Venables, Barney J. & Ohlsson, Oscar O.
Description: Patent relating to refuse derived fuels and more particularly to binder enhanced refuse derived fuel pellets and utilization of such pellets in solid-fuel fired furnaces.
Contributing Partner: UNT College of Arts and Sciences
The Biological and Toxicological Activity of Gases and Vapors

The Biological and Toxicological Activity of Gases and Vapors

Date: March 2010
Creator: Abraham, M. H. (Michael H.); Sánchez-Moreno, Ricardo; Gil-Lostes, Javier; Acree, William E. (William Eugene); Cometto-Muñiz, J. Enrique & Cain, William S.
Description: Article discussing research on the biological and toxicological activity of gases and vapors.
Contributing Partner: UNT College of Arts and Sciences
Bonding and Structure of Copper Nitrenes

Bonding and Structure of Copper Nitrenes

Date: October 4, 2008
Creator: Cundari, Thomas R., 1964- & Dinescu, Adriana
Description: Article discussing research on the bonding and structure of copper nitrenes.
Contributing Partner: UNT College of Arts and Sciences
Brittle and Ductile Behavior in Carbon Nanotubes

Brittle and Ductile Behavior in Carbon Nanotubes

Date: November 23, 1998
Creator: Buongiorno Nardelli, Marco; Yakobson, Boris I. & Bernholc, Jerry
Description: Article discussing research on the response of carbon nanotubes to a tensile load.
Contributing Partner: UNT College of Arts and Sciences
Buckminsterfullerene, C₆₀: Improved Synthesis, Electron Microscopy, Electron States, Anions and Related Aspects

Buckminsterfullerene, C₆₀: Improved Synthesis, Electron Microscopy, Electron States, Anions and Related Aspects

Date: August 19, 1991
Creator: Pradeep, T.; D'Souza, Francis; Subbanna, G.N.; Krishnan, V. & Rao, C.N.R.
Description: This article describes the synthesis and characterization of C₆₀, by means of electron microscopy, electron states, cyclic voltammetry and other techniques.
Contributing Partner: UNT College of Arts and Sciences
The Butterfly Dimer [(tBu3SiO)Cr]2 (μ-OSitBu3)2 and Its Oxidative Cleavage to (tBu3SiO)2 Cr(=N-N=CPh2)2 and (tBu3SiO)2 Cr=N(2,6-Ph2-C6H3)

The Butterfly Dimer [(tBu3SiO)Cr]2 (μ-OSitBu3)2 and Its Oxidative Cleavage to (tBu3SiO)2 Cr(=N-N=CPh2)2 and (tBu3SiO)2 Cr=N(2,6-Ph2-C6H3)

Date: January 12, 2006
Creator: Sydora, Orson L.; Kuiper, David S.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Dinescu, Adriana & Cundari, Thomas R., 1964-
Description: Article discussing research on the butterfly dimer [(ᵗBu₃SiO)Cr]₂(μ-OSiᵗBu₃)₂ and its oxidative cleavage to (ᵗBu₃SiO)₂Cr(=N-N=CPh₂)₂ and (ᵗBu₃SiO)₂Cr=N(2,6-Ph₂-C₆H₃).
Contributing Partner: UNT College of Arts and Sciences
C H Bond Activation of Methane by Ptᴵᴵ N-Heterocyclic Carbene Complexes: The Importance of Having the Ligands in the Right Place at the Right Time

C H Bond Activation of Methane by Ptᴵᴵ N-Heterocyclic Carbene Complexes: The Importance of Having the Ligands in the Right Place at the Right Time

Date: January 25, 2012
Creator: Prince, Bruce M. & Cundari, Thomas R., 1964-
Description: Article discussing C H bond activation of methane by Ptᴵᴵ N-Heterocyclic carbene complexes.
Contributing Partner: UNT College of Arts and Sciences
C-H Functionalization Reactivity of a Nickel-Imide

C-H Functionalization Reactivity of a Nickel-Imide

Date: May 22, 2012
Creator: Wiese, Stefan; McAfee, Jason L.; Pahls, Dale R.; McMullin, Claire L.; Cundari, Thomas R., 1964- & Warren, Timothy H.
Description: This article discusses C-H functionalization reactivity of a Nickel-Imide.
Contributing Partner: UNT College of Arts and Sciences
Calculation of a Methane C-H Oxidative Addition Trajectory: Comparison to Experiment and Methane Activation by High-Valent Complexes

Calculation of a Methane C-H Oxidative Addition Trajectory: Comparison to Experiment and Methane Activation by High-Valent Complexes

Date: January 1994
Creator: Cundari, Thomas R., 1964-
Description: Article discussing research on the calculation of methane C-H oxidative addition trajectory and a comparison to experiment and methane activation by high-valent complexes.
Contributing Partner: UNT College of Arts and Sciences
Calculation of the Viscosity of Binary Liquids at Various Temperatures Using Jouyban-Acree Model

Calculation of the Viscosity of Binary Liquids at Various Temperatures Using Jouyban-Acree Model

Date: May 2005
Creator: Jouyban, Abolghasem; Khoubnasabjafari, Maryam; Vaez-Gharamaleki, Zahra; Fekari, Zohreh & Acree, William E. (William Eugene)
Description: Article discussing the calculation of the viscosity of binary liquids at various temperatures using Jouyban-Acree model.
Contributing Partner: UNT College of Arts and Sciences
Calculations of the Relative Energies of the 2B1g and 2A2u States of Cyclobutanetetraone Radical Cation and Radical Anion Provide Further Evidence of a 3B2u Ground State for the Neutral Molecule: A Proposed Experimental Test of the Prediction of a Triplet Ground State for (CO)4

Calculations of the Relative Energies of the 2B1g and 2A2u States of Cyclobutanetetraone Radical Cation and Radical Anion Provide Further Evidence of a 3B2u Ground State for the Neutral Molecule: A Proposed Experimental Test of the Prediction of a Triplet Ground State for (CO)4

Date: 2010
Creator: Zhou, Xin; Hrovat, David A. & Borden, Weston T., 1943-
Description: Article on a proposed experimental test of the prediction of a triplet ground state for (CO)4.
Contributing Partner: UNT College of Arts and Sciences
Calculations Predict a Large Inverse H/D Kinetic Isotope Effect on the Rate of Tunneling in the Ring Opening of Cyclopropylcarbinyl Radical

Calculations Predict a Large Inverse H/D Kinetic Isotope Effect on the Rate of Tunneling in the Ring Opening of Cyclopropylcarbinyl Radical

Date: October 15, 2009
Creator: Zhang, Xue; Datta, Ayan; Hrovat, David A. & Borden, Weston T., 1943-
Description: Article on calculations predicting a large inverse H/D kinetic isotope effect on the rate of tunneling in the ring opening of cyclopropylcarbinyl radical.
Contributing Partner: UNT College of Arts and Sciences
Calculations Predict That Carbon Tunneling Allows the Degenerate Cope Rearrangement of Semibullvalene to Occur Rapidly at Cryogenic Temperatures

Calculations Predict That Carbon Tunneling Allows the Degenerate Cope Rearrangement of Semibullvalene to Occur Rapidly at Cryogenic Temperatures

Date: May 27, 2010
Creator: Zhang, Xue; Hrovat, David A. & Borden, Weston T., 1943-
Description: Article on calculations predicting that carbon tunneling allows the degenerate cope rearrangement of semibullvalene to occur rapidly at cryogenic temperatures.
Contributing Partner: UNT College of Arts and Sciences
Carbon Dioxide Migration Pathways in Proteins

Carbon Dioxide Migration Pathways in Proteins

Date: March 4, 2012
Creator: Drummond, Michael L.; Wilson, Angela K. & Cundari, Thomas R., 1964-
Description: Article discussing research on carbon dioxide migration pathways in proteins.
Contributing Partner: UNT College of Arts and Sciences
Carbon-Hydrogen Bond Activation by Titanium Imido Complexes. Computational Evidence for the Role of Alkane Adducts in Selective C-H Activation

Carbon-Hydrogen Bond Activation by Titanium Imido Complexes. Computational Evidence for the Role of Alkane Adducts in Selective C-H Activation

Date: January 19, 2002
Creator: Cundari, Thomas R., 1964-; Klinckman, Thomas R. & Wolczanski, Peter T.
Description: This article reports calculations that probe the role of R (hydrocarbon) and R' (ligand substituent) effects on the reaction coordinate for C-H activation.
Contributing Partner: UNT College of Arts and Sciences
Carbon-Hydrogen Bond Activation, C-N Bond Coupling, and Cycloaddition Reactivity of a Three-Coordinate Nickel Complex Featuring a Terminal Imido Ligand

Carbon-Hydrogen Bond Activation, C-N Bond Coupling, and Cycloaddition Reactivity of a Three-Coordinate Nickel Complex Featuring a Terminal Imido Ligand

Date: December 1, 2014
Creator: Mindiola, Daniel J.; Waterman, Rory; Iluc, Vlad M.; Cundari, Thomas R. & Hillhouse, Gregory L.
Description: In this study, we describe reaction chemistry of the first nickel(II) complexes having a terminally bound imido ligand, (dtbpe)Ni=NR (R = 2,6-ⁱPr₂C₆H₃, 2,3,6-Me₃C₆H₂ (Mes), and Ad) with various small unsaturated molecules.
Contributing Partner: UNT College of Arts and Sciences