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Novel Metal Hydroxide Derivatives Containing Chemically Bound Organophosphorus or Polyphosphate Species as Flame Retardants
Patent relating to novel metal hydroxide derivatives containing chemically bound organophosphorus or polyphosphate species as flame retardants.
Date:
March 29, 2006
Creator:
Braterman, Paul S.; D'Souza, Nandika & Dharia, Amit
Object Type:
Patent
System:
The UNT Digital Library
A Neoteric Neodymium Model: Ground and Excited Electronic State Analysis of NdF²⁺
This article studies neodymium monofluoride dictation as a model of the Nd-F bond in NDFₓ.
Date:
May 10, 2013
Creator:
Schoendorff, George; South, Christopher & Wilson, Angela K.
Object Type:
Article
System:
The UNT Digital Library
Descriptors for Pentane-2,4-dione and Its Derivatives
This article uses equations for partition coefficients of compounds from water and the gas phase to various solvents to obtain descriptors for pentane-2,4-dione and 21 of its derivatives.
Date:
August 19, 2017
Creator:
Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Unusual Electronic Features and Reactivity of the Dipyridylazaallyl Ligand: Characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)2
Article discussing unusual electronic features and reactivity of the dipyridylazaallyl ligand and characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N and [(TMS)2NFe] 2(smif)2.
Date:
February 19, 2009
Creator:
Frazier, Brenda A.; Wolczanski, Peter T.; Lobkovsky, Emil B. & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
Group-Transfer Reactions of Nickel-Carbene and -Nitrene Complexes with Organoazides and Nitrous Oxide that Form New C=N, C=O, and N=N Bonds
This article discusses group-transfer reactions of nickel-carbene and -nitrene complexes with organoazides and nitrous oxide that form new C=N, C=O, and N=N bonds.
Date:
August 19, 2009
Creator:
Harrold, Nicole D.; Waterman, Rory; Hillhouse, Gregory L. & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
Carbon-Hydrogen Bond Activation by Titanium Imido Complexes. Computational Evidence for the Role of Alkane Adducts in Selective C-H Activation
This article reports calculations that probe the role of R (hydrocarbon) and R' (ligand substituent) effects on the reaction coordinate for C-H activation.
Date:
January 19, 2002
Creator:
Cundari, Thomas R., 1964-; Klinckman, Thomas R. & Wolczanski, Peter T.
Object Type:
Article
System:
The UNT Digital Library
Cobalt-Dinitrogen Complexes with Weakened N-N Bonds
Article discussing research on cobalt-dinitrogen complexes with weakened N-N bonds.
Date:
June 19, 2009
Creator:
Ding, Keying; Pierpont, Aaron W.; Brennessel, William W.; Lukat-Rodgers, Gudrun; Rodgers, Kenton R.; Cundari, Thomas R., 1964- et al.
Object Type:
Article
System:
The UNT Digital Library
A Masked Two-Coordinate Cobalt (I) Complex That Activates C-F Bonds
This article discusses a masked two-coordinate cobalt(I) complex that activates C-F bonds.
Date:
July 19, 2011
Creator:
Dugan, Thomas R.; Sun, Xianru; Rybak-Akimova, Elena V.; Olatunji-Ojo, Olayinka; Cundari, Thomas R., 1964- & Holland, Patrick L.
Object Type:
Article
System:
The UNT Digital Library
Experimental Evidence for Heavy-Atom Tunneling in the Ring-Opening of Cyclopropylcarbinyl Radical from Intramolecular 12C/13C Kinetic Isotope Effects
Article on experimental evidence for heavy-atom tunneling in the ring-opening of cyclopropylcarbinyl radical from intramolecular 12C/13C kinetic isotope effects.
Date:
August 19, 2010
Creator:
Gonzalez-James, Ollie M.; Zhang, Xue; Datta, Ayan; Hrovat, David A.; Singleton, Daniel A. & Borden, Weston T.
Object Type:
Article
System:
The UNT Digital Library
Structural Dichotomy in Six-Coordinate d⁰ Complexes: Trigonal Prismatic (ᵗBu₃SiC≡C)₆Ta⁻ and Octahedral (ᵗBu₃SiC≡C)₆M²⁻ (M = Zr, Hf)
Article discussing structural dichotomy in six-coordinate d⁰ complexes and trigonal prismatic (ᵗBu₃SiC≡C)₆Ta⁻ and octahedral (ᵗBu₃SiC≡C)₆M²⁻ (M ≡ Zr, Hf).
Date:
September 19, 1998
Creator:
Vaid, Thomas P.; Veige, Adam S.; Lobkovsky, Emil B.; Glassey, Wingfield V.; Wolczanski, Peter T.; Liable-Sands, Louise M. et al.
Object Type:
Article
System:
The UNT Digital Library
Solubility of Anthracene in Ternary 1,4-Dioxane + Alcohol + Cyclohexane Solvent Mixtures at 298.15 K
Article on the solubility of anthracene in ternary 1,4-dioxane + alcohol + cyclohexane solvent mixtures at 298.15 K.
Date:
July 19, 2000
Creator:
Pribyla, Karen J.; Spurgin, Michael A.; Chuca, Ivette & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Comments on "Thermophysical Properties of para-Anisaldehyde (1) + Chlorobenzene (2) at Temperatures of (303.15, 313.15, and 323.15) K and a Pressure of 0.1 MPa" (Baskaran, R.; Kubendran, T. R. J. Chem. Eng. Data 2008, 53, 978-982)
Comments regarding the article, "Thermochemical properties of para-anisaldehyde (1) + chlorobenzene (2) at temperatures of (303.15, 313.15, and 323.15) K and a pressure of 0.1 MPa," published in 2008 in the Journal of Chemical and Engineering Data.
Date:
July 19, 2008
Creator:
Jouyban, Abolghasem & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Solubility of Anthracene in Binary Alcohol + Methyl Acetate Solvent Mixtures at 298.2 K
Article on the solubility of anthracene in binary alcohol + methyl acetate solvent mixtures at 298.2 K.
Date:
May 19, 2001
Creator:
Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Redox Activation of Alkene Ligands in Platinum Complexes with Non-innocent Ligands
Article discussing the redox activation of alkene ligands in platinum complexes with non-innocent ligands.
Date:
December 19, 2009
Creator:
Boyer, Julie L.; Cundari, Thomas R., 1964-; DeYonker, Nathan J.; Rauchfuss, Thomas B. & Wilson, Scott R.
Object Type:
Article
System:
The UNT Digital Library
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
Article on a comparison of density functional theory with single- and multireference correlation consistent composite approaches (ccCA).
Date:
October 19, 2009
Creator:
Tekarli, Sammer M.; Williams, T. Gavin & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
Buckminsterfullerene, C₆₀: Improved Synthesis, Electron Microscopy, Electron States, Anions and Related Aspects
This article describes the synthesis and characterization of C₆₀, by means of electron microscopy, electron states, cyclic voltammetry and other techniques.
Date:
August 19, 1991
Creator:
Pradeep, T.; D'Souza, Francis; Subbanna, G.N.; Krishnan, V. & Rao, C.N.R.
Object Type:
Article
System:
The UNT Digital Library
Application of the Correlation Consistent Composite Approach (ccCA) to Third-Row (Ga-Kr) Molecules
Article on the application of the correlation consistent composite approach (ccCA) to third-row (Ga-Kr) molecules.
Date:
January 19, 2008
Creator:
DeYonker, Nathan J.; Mintz, Benjamin; Cundari, Thomas R., 1964- & Wilson, Angela K.
Object Type:
Article
System:
The UNT Digital Library
Performance of the correlation consistent composite approach for transition states: A comparison to G3B theory
This article discusses performance of the correlation consistent composite approach for transition states.
Date:
October 19, 2007
Creator:
Grimes, Thomas V.; Wilson, Angela K.; DeYonker, Nathan J. & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
Polarization in electrostatics and circuits: Computing and visualizing surface charge distributions
Article describing an algorithm or computing the detailed surface charge distributions in equilibrium electrostatic situations and in steady-state DC circuits, and discuss the results of the computations of surface charge distributions for several systems.
Date:
December 14, 2018
Creator:
Chabay, Ruth & Sherwood, Bruce
Object Type:
Article
System:
The UNT Digital Library
Experimental Artifacts and Determination of Accurate Py Values
Article on experimental artifacts and determination of accurate Py values.
Date:
May 19, 1986
Creator:
Street, Kenneth W. & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Benzo[ghi]perylene versus Pyrene as Solute Probes for Polarity Determination of Liquid Organic Salts Used in Chromatography
Article on benzo[ghi]perylene versus pyrene as solute probes for polarity determination of liquid organic salts used in chromatography.
Date:
August 19, 1988
Creator:
Street, Kenneth W.; Acree, William E. (William Eugene); Poole, Colin F. & Shetty, Prabhakara H.
Object Type:
Article
System:
The UNT Digital Library
Computational Study of 3d Metals and Their Influence on the Acidity of Methane C–H Bonds
Article describes experiment where CCSD(T) methods in conjunction with correlation consistent basis sets were used to predict the pKa for the deprotonation of methane in a 3d metal ion adduct, [M···CH4]+ (M = Sc–Cu), in dimethyl sulfoxide solvent, which is modeled by the SMD continuum solvent model.
Date:
November 19, 2019
Creator:
Zhou, Christopher X. & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
Commentary on "Correlation of solubility of hexamethylene-1,6-bisthiosulphate disodium salt dihydrate versus dielectric constants of water + ethanol mixtures"
This article discusses the finding that Apelblat model equation coefficients are found to give calculated mole fractions that exceed unity for the solubility of hexamethylene-1,6-bisthiosulphate disodium salt dihydrate dissolved in binary aqueous-ethanol solvent mixtures.
Date:
May 19, 2017
Creator:
Acree, William E. (William Eugene) & Yang, Chunhui
Object Type:
Article
System:
The UNT Digital Library
Comment on "Margules Equations Applied to PAH Solubilities in Alcohol-Water Mixtures"
Article providing comment on "Margules Equations Applied to PAH Solubilities in Alcohol-Water Mixtures," published in 'Environmental Science & Technology," 1997.
Date:
April 19, 1999
Creator:
Jouyban, Abolghasem; Acree, William E. (William Eugene) & Clark, B. J.
Object Type:
Article
System:
The UNT Digital Library