UNT Scholarly Works - 54 Matching Results

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Primary view of Calculations Predict a Large Inverse H/D Kinetic Isotope Effect on the Rate of Tunneling in the Ring Opening of Cyclopropylcarbinyl Radical
Zhang, Xue; Datta, Ayan; Hrovat, David A. & Borden, Weston T.
October 15, 2009
Primary view of Synthesis of the Five-Coordinate Ruthenium (II) Complexes [(PCP)Ru(CO)(L)][BAr'4] {PCP = 2,6-(CH2PtBu2)2 C6H3, BAr'4 = 3,5-(CF3)2C6H3, L= ɳ1-CICH2CI, ɳ 1-N2, or μ-Cl-Ru(PCP)(CO)}: Reactions with Phenyldiazomethane and Phenylacetylene
Zhang, Jubo; Barakat, Khaldoon A.; Cundari, Thomas R., 1964-; Gunnoe, T. Brent; Boyle, Paul D.; Petersen, Jeffrey L. et al.
October 6, 2005
Primary view of Activation of Carbon-Hydrogen Bonds via 1,2-Addition across M-X (X = OH or NH2) Bonds of d6 Transition Metals as a Potential Key Step in Hydrocarbon Functionalization: A Computational Study
Cundari, Thomas R., 1964-; Grimes, Thomas V. & Gunnoe, T. Brent
October 6, 2007
Primary view of A T-Shaped Three-Coordinate Nickel(l) Carbonyl Complex and the Geometric Preferences of Three-Coordinate d9 Complexes
Eckert, Nathan A.; Dinescu, Adriana; Cundari, Thomas R., 1964- & Holland, Patrick L.
October 5, 2005
Primary view of Four-Coordinate Mo(II) as (silox)2Mo(PMe3)2 and Its W(IV) Congener (silox)2HW(ɳ2-CH2PMe2) (silox = tBu3SiO)
Kuiper, David S.; Wolczanski, Peter T.; Lobkovsky, Emil B. & Cundari, Thomas R., 1964-
October 21, 2008
Primary view of Bonding and Structure of Copper Nitrenes
Cundari, Thomas R., 1964- & Dinescu, Adriana
October 4, 2008
Primary view of Reversible Beta-Hydrogen Elimination of Three-Coordinate Iron(II) Alkyl Complexes: Mechanistic and Thermodynamic Studies
Vela, Javier; Vaddadi, Sridhar; Cundari, Thomas R., 1964-; Smith, Jeremy M.; Gregory, Elizabeth A.; Lachicotte, Rene J. et al.
October 1, 2004
Primary view of Reactions of TpRu(CO) (NCMe) (Me) (Tp = Hydridotris(pyrazolyl)borate) with Heteroaromatic Substrates: Stoichiometric and Catalytic C-H Activation
Pittard, Karl A.; Lee, John P.; Cundari, Thomas R., 1964-; Gunnoe, T. Brent & Petersen, Jeffrey L.
October 15, 2004
Primary view of Combined Experimental and Computational Study of TpRu{P(pyr)3} (NCMe)Me (pyr = N-pyrrolyl): Inter- and Intramolecular Activation of C-H Bonds and the Impact of Sterics on Catalytic Hydroarylation of Olefins
Foley, Nicholas A.; Lail, Marty; Gunnoe, T. Brent; Cundari, Thomas R., 1964-; Boyle, Paul D. & Petersen, Jeffrey L.
October 4, 2007
Primary view of Computational s-Block Thermochemistry with the Correlation Consistent Composite Approach
DeYonker, Nathan J.; Ho, Dustin S.; Wilson, Angela K. & Cundari, Thomas R., 1964-
October 3, 2007
Primary view of Performance of the correlation consistent composite approach for transition states: A comparison to G3B theory
Grimes, Thomas V.; Wilson, Angela K.; DeYonker, Nathan J. & Cundari, Thomas R., 1964-
October 19, 2007
Primary view of Activation of Carbon-Hydrogen and Hydrogen-Hydrogen Bonds by Copper-Nitrenes: A Comparison of Density Functionality Theory with Single- and Multireference Correlation Consistent Composite Approaches
Tekarli, Sammer M.; Williams, T. Gavin & Cundari, Thomas R., 1964-
October 19, 2009
Primary view of Complex Materials for Molecular Spintronics Applications: Cobalt Bis(dioxolene) Valence Tautomers, from Molecules to Polymers
Calzolari, Arrigo; Chen, Yifeng; Lewis, Geoffrey F.; Dougherty, Daniel B.; Shultz, David A. & Buongiorno Nardelli, Marco
October 16, 2012
Primary view of Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds. Sublimation, Vaporization and Fusion Enthalpies From 1880 to 2010
Acree, William E. (William Eugene) & Chickos, James S.
October 4, 2010
Primary view of Abraham Model Correlations for Transfer of Neutral Molecules and Ions to Sulfolane
Stephens, Timothy W.; De la Rosa, Nohelli E.; Saifullah, Mariam; Ye, Shulin; Chou, Vicky; Quay, Amanda N. et al.
October 15, 2011
Primary view of The transfer of neutral molecules, ions and ionic species from water to benzonitrile; comparison with nitrobenzene
Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
October 15, 2011
Primary view of Solubility of 5-(2-Chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one, 7-Chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one, and 6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine in the Mixtures of Poly(ethylene glycol) 600, Ethanol, and Water at a Temperature of 298.2 K
Soltanpour, Shahla; Acree, William E. (William Eugene) & Jouyban, Abolghasem
October 23, 2009
Primary view of Hydrogen Bonding between Solutes in Solvents Octan-1-ol and Water
Abraham, M. H. (Michael H.); Gola, Joelle R. M.; Cometto-Muñiz, J. Enrique & Acree, William E. (William Eugene)
October 18, 2010
Primary view of Solubility of Acetaminophen and Ibuprofen in the Mixtures of Polyethylene Glycol 200 or 400 with Ethanol and water and the Density of Solute-Free Mixed Solvents at 298.2 K
Jouyban, Abolghasem; Soltanpour, Shahla & Acree, William E. (William Eugene)
October 26, 2010
Primary view of Solubility of 2-Hydroxybenzoic Acid in Water, 1-Propanol, 2-Propanol, and 2-Propanone at (298.2 to 338.2) K and Their Aqueous Binary Mixtures at 298.2 K
Fakhree, Mohammad Amin Abolghassemi; Ahmadian, Somaieh; Panahi-Azar, Vahid; Jouyban, Abolghasem & Acree, William E. (William Eugene)
October 25, 2012
Primary view of Activity Coefficients at Infinite Dilution for Organic Compounds Dissolved in 1-Alkyl-1-methylpyrrolidinium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Having Six-, Eight-, and Ten-Carbon Alkyl Chains
Acree, William E. (William Eugene); Baker, Gary A.; Revelli, Anne-Laure; Moïse, Jean-Charles & Mutelet, Fabrice
October 31, 2012
Primary view of Solubility of Anthracene in Ternary Dibutyl Ether + Alcohol + 2,2,4-Trimethylpentane Solvent Mixtures
Pribyla, Karen J.; Spurgin, Michael A.; Chuca, Ivette & Acree, William E. (William Eugene)
October 14, 1999
Primary view of The Role of the Glycine Triad in Human Glutathione Synthetase
Dinescu, Adriana; Brown, Teresa R.; Barelier, Sarah; Cundari, Thomas R., 1964- & Anderson, Mary E.
October 1, 2010
Primary view of Solubility of Carvedilol in Ethanol + Propylene Glycol Mixtures at Various Temperatures
Vahdati, Sahel; Shayanfar, Ali; Hanaee, Jalal; Martínez, Fleming; Acree, William E. (William Eugene) & Jouyban, Abolghasem
October 30, 2013