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Rate Constant and Branching Fraction for the NH₂ + NO₂ Reaction
Article on rate constant and branching fraction for the NH₂ + NO₂ reaction.
Date:
August 22, 2013
Creator:
Klippenstein, Stephen J.; Harding, Lawrence B.; Glarborg, Peter; Gao, Yide; Hu, Huanzhen & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Oxidation of Reduced Sulfur Species: Carbon Disulfide
Article on the oxidation of reduced sulfur species and carbon disulfide.
Date:
August 4, 2014
Creator:
Glarborg, Peter; Halaburt, Birgitte; Marshall, Paul; Guillory, Adrian; Troe, Jürgen; Thellefsen, Morten et al.
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
Reductive Elimination of Alkylamines from Low-Valent, Alkylpalladium(II) Amido Complexes
This article discusses reductive elimination of alkylamines from low-valent, alkylpalladium(II) amido complexes.
Date:
August 30, 2012
Creator:
Hanley, Patrick S.; Marquard, Seth L.; Cundari, Thomas R., 1964- & Hartwig, John F.
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
Prediction of Partition Coefficients of Organic Compounds in Ionic Liquids Using a Temperature-Dependent Linear Solvation Energy Relationship with Parameters Calculated through a Group Contribution Method
This article discusses the prediction of partition coefficients of organic compounds in ionic liquids.
Date:
August 22, 2011
Creator:
Mutelet, Fabrice; Ortega-Villa, Virginia; Moïse, Jean-Charles; Jaubert, Jean-Noël & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Partition Coefficients of Organic Compounds in Four New Tetraalkylammonium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Using Inverse Gas Chromatography
This article discusses partition coefficients of organic compounds in four new tetraalkylammonium bis(trifluoromethylsulfonyl)imide ionic liquids using inverse gas chromatography.
Date:
August 18, 2011
Creator:
Acree, William E. (William Eugene); Baker, Gary A.; Mutelet, Fabrice & Moïse, Jean-Charles
Object Type:
Article
System:
The UNT Digital Library
Solubility of Sodium Acetate in Ternary Mixtures of Methanol, 1-Propanol, Acetonitrile, and Water at 298.2 K
Article on the solubility of sodium acetate in ternary mixtures of methanol, 1-propanol, acetonitrile, and water at 298.2 K.
Date:
August 4, 2014
Creator:
Soleymani, Jafar; Kenndler, Ernst; Acree, William E. (William Eugene) & Jouyban, Abolghasem
Object Type:
Article
System:
The UNT Digital Library
Abraham Model Correlations for Solute Transfer into 2-Ethoxyethanol from Water and from the Gas Phase
Article on Abraham model correlations for solute transfer into 2-ethoxyethanol from water and from the gas phase.
Date:
August 1, 2015
Creator:
Sedov, Igor A.; Stolov, Mikhail; Hart, Erin; Grover, Damini; Zettl, Heidi; Koshevarova, Victoria et al.
Object Type:
Article
System:
The UNT Digital Library
Solubility of Anthracene in C1-C3 Alcohols from (298.2 to 333.2) K and Their Mixtures with 2-Propanone at 298.2 K
Article discussing the solubility of anthracene in C1-C3 alcohols from (298.2 to 333.2) K and their mixtures with 2-propanone at 298.2 K.
Date:
August 25, 2010
Creator:
Jouyban, Abolghasem; Manzoori, Jamshid L.; Soleymani, Jafar; Panahi-Azar, Vahid; Fakhree, Mohammad Amin Abolghassemi; Ahmadian, Somaieh et al.
Object Type:
Article
System:
The UNT Digital Library
Experimental and Kinetic Modeling Study of Acetylene Oxidation at High Pressure
Article describing a detailed chemical kinetic model for oxidation of acetylene at intermediate temperatures and high pressure that was developed and evaluated experimentally.
Date:
August 29, 2016
Creator:
Lopez, Jorge Gimenez; Rasmussen, Christian Lund; Hashemi, Hamid; Alzueta, María U.; Gao, Yide; Marshall, Paul et al.
Object Type:
Article
System:
The UNT Digital Library
Relative Rate and Product Studies of the Reactions of Atomic Chlorine With Tetrafluoroethylene, 1,2-Dichloro-1,2-Difluoroethylene, 1,1-Dichloro-2,2-Difluoroethylene, and Hexafluoro-1,3-Butadiene in the Presence of Oxygen
This article assesses rates of reactions in the context of atmospheric chemistry.
Date:
August 31, 2016
Creator:
Herath, Thushani N.; Clinch, Eric C.; Orozco, Ivan; Raign, Erin L. & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
trans-Dichloridotetrapyrazine-ruthenium(II) dichloromethane disolvate
In the title compound, [RuCl₂(C₄H₄N₂)₄]·2CH₂Cl₂, the Ruᴵᴵ atom occupies a position of 222 symmetry and the C atom of the solvent molecule occupies a site with twofold symmetry.
Date:
August 14, 2012
Creator:
Nesterov, Vladimir N.; Khan, Wajiha; Rangel, Alexandra E. & Smucker, Bradley W.
Object Type:
Article
System:
The UNT Digital Library
Cation-specific and anion-specific Abraham model correlations for solute transfer into ionic liquid solvents
Article discussing research on cation-specific and anion-specific Abraham model correlations for solute transfer into ionic liquid solvents.
Date:
August 2010
Creator:
Grubbs, Laura M.; Saifullah, Mariam; De la Rosa, Nohelli E.; Acree, William E. (William Eugene); Abraham, M. H. (Michael H.); Zhao, Qichao et al.
Object Type:
Article
System:
The UNT Digital Library
Correlation of solute transfer into alkane solvents from water and from the gas phase with updated Abraham model equations
This article discusses the correlation of solute transfer into alkane solvents from water and from the gas phase with updated Abraham model equations.
Date:
August 25, 2011
Creator:
Stephens, Timothy W.; Quay, Amanda N.; Chou, Vicky; Loera, Matthew; Shen, Connie; Wilson, Anastasia et al.
Object Type:
Article
System:
The UNT Digital Library
Occurrence of excited state charge separation in a N-doped graphene–perylenediimide hybrid formed via ‘click’ chemistry
Article describes study in which researchers, using click chemistry, synthesized a donor–acceptor hybrid comprised of N-doped graphene and perylenediimide (PDI), a well-known electron-accepting photosensitizer.
Date:
August 30, 2019
Creator:
Gobeze, Habtom B.; Arellano, Luis M.; Gutiérrez-Vílchez, Ana María; Gómez-Escalonilla, María J.; Sastre-Santos, Ángela; Fernández-Lázaro, Fernando et al.
Object Type:
Article
System:
The UNT Digital Library
Nanomanipulation Coupled Nanospray Mass Spectrometry (NMS)
Patent relating to nanomanipulation coupled nanospray mass spectrometry (NMS).
Date:
March 12, 2013
Creator:
Verbeck, Guido F.
Object Type:
Patent
System:
The UNT Digital Library
Effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations
Article on the effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations.
Date:
August 12, 2015
Creator:
Varfolomeev, Mikhail A.; Rakipov, Ilnaz T.; Khachatrian, Artashes A.; Acree, William E. (William Eugene); Brumfield, Michela & Abraham, M. H. (Michael H.)
Object Type:
Article
System:
The UNT Digital Library
ASPARTATE 458 of Human Glutathione Synthetase is Important for Cooperativity and Active Site Structure
Article discussing ASPARTATE 458 of human glutathione synthetase.
Date:
August 5, 2011
Creator:
Brown, Teresa R.; Drummond, Michael L.; Barelier, Sarah; Crutchfield, Amanda S.; Dinescu, Adriana; Slavens, Kerri D. et al.
Object Type:
Article
System:
The UNT Digital Library
Porphyrinoid rotaxanes: building a mechanical picket fence
This article describes the active template CuAAC synthesis of interlocked triazole functionalised porphyrinoids in excellent yield.
Date:
August 3, 2017
Creator:
Ngo, T. H.; Labuta, J.; Lim, G. N.; Webre, W. A.; D'Souza, Francis; Karr, P. A. et al.
Object Type:
Article
System:
The UNT Digital Library
N-Doped graphene/C₆₀ covalent hybrid as a new material for energy harvesting applications
This article systematically investigates the degree of functionalization and the key structural features of the N-G/C₆₀ hybrid by a number of techniques including thermogravimetric analysis, X-ray photoelectron and Raman spectroscopies and transmission electron and atomic force microscopies.
Date:
August 26, 2018
Creator:
Barrejón, Myriam; Arellano, Luis M.; Gobeze, Habtom B.; Gómez-Escalonilla, María J.; Fierro, Jose Luis G.; D'Souza, Francis et al.
Object Type:
Article
System:
The UNT Digital Library
Enthalpy of Solvation Correlations for Organic Solutes and Gases Dissolved in 2-Propanol, 2-Butanol, 2-Methyl-1-Propanol and Ethanol
This article discusses the enthalpy of solvation correlations for organic solutes and gases dissolved in 2-propanol, 2-butanol, 2-methyl-1-propanol and ethanol.
Date:
August 20, 2011
Creator:
Stephens, Timothy W.; De la Rosa, Nohelli E.; Saifullah, Mariam; Ye, Shulin; Chou, Vicky; Quay, Amanda N. et al.
Object Type:
Article
System:
The UNT Digital Library
An Experimental and Theoretical Study of the Reaction Between NH(X3Σ-) + SO(X3Σ-)
Article on an experimental and theoretical study of the reaction between NH(X3Σ–) + SO(X3Σ–).
Date:
August 3, 2010
Creator:
Blitz, Mark A.; Shannon, Robin J.; Marshall, Paul & Pilling, Michael J.
Object Type:
Article
System:
The UNT Digital Library
Correlation consistent basis sets designed for density functional theory: Second-row (Al-Ar)
Article presenting cc-pV(n+d)Z correlation consistent basis sets of double- through quintuple-ζ quality for the atoms Al-Ar that have been modified for use with density functional theory (DFT). These basis set modifications include truncation of high-angular momentum basis functions, recontraction of the s- and p-functions, and reoptimization of basis function exponents with generalized gradient approximation and hybrid-DFT functionals. The effects of basis set truncation, recontraction, and reoptimization are shown to improve convergence behavior in atomic energies as well as dissociation energies and enthalpies of formation.
Date:
June 8, 2019
Creator:
Mahler, Andrew; Determan, John J. & Wilson, Angela K.
Object Type:
Article
System:
The UNT Digital Library