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An ab initio study of the reaction of atomic hydrogen with sulfur dioxide
Article on an ab initio study of the reaction of atomic hydrogen with sulfur dioxide.
Date:
October 1, 1991
Creator:
Binns, Derk Douglas & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Abraham Model Correlations for Transfer of Neutral Molecules and Ions to Sulfolane
Article on Abraham model correlations for the transfer of neutral molecules and ions to sulfolane.
Date:
October 15, 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
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
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
Article discussing a computational study on the 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.
Date:
October 6, 2007
Creator:
Cundari, Thomas R., 1964-; Grimes, Thomas V. & Gunnoe, T. Brent
Object Type:
Article
System:
The UNT Digital Library
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
Article on 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.
Date:
October 31, 2012
Creator:
Acree, William E. (William Eugene); Baker, Gary A.; Revelli, Anne-Laure; Moïse, Jean-Charles & Mutelet, Fabrice
Object Type:
Article
System:
The UNT Digital Library
Aggregation-induced phosphorescence sensitization in two heptanuclear and decanuclear gold–silver sandwich clusters
This article obtains two few-atom heterometallic gold–silver hepta-/decanuclear clusters, denoted Au₆Ag and Au₉Ag, and determines their structures by X-ray diffraction and mass spectrometry.
Date:
October 30, 2020
Creator:
Lu, Zhou; Yang, Yu-Jie; Ni, Wen-Xiu; Li, Mian; Zhao, Yifang; Huang, Yong-Liang et al.
Object Type:
Article
System:
The UNT Digital Library
Binder Enhanced Refuse Derived Fuel
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.
Date:
April 12, 1995
Creator:
Daugherty, Kenneth E.; Venables, Barney J. & Ohlsson, Oscar O.
Object Type:
Patent
System:
The UNT Digital Library
Bonding and Structure of Copper Nitrenes
Article discussing research on the bonding and structure of copper nitrenes.
Date:
October 4, 2008
Creator:
Cundari, Thomas R., 1964- & Dinescu, Adriana
Object Type:
Article
System:
The UNT Digital Library
Calculations Predict a Large Inverse H/D Kinetic Isotope Effect on the Rate of Tunneling in the Ring Opening of Cyclopropylcarbinyl Radical
Article on calculations predicting 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.
Object Type:
Article
System:
The UNT Digital Library
Characterization of the sorption of gaseous and organic solutes onto polydimethyl siloxane solid-phase microextraction surfaces using the Abraham model
Article on the characterization of the sorption of gaseous and organic solutes onto polydimethyl siloxane solid-phase microextraction surfaces using the Abraham model.
Date:
October 25, 2007
Creator:
Sprunger, Laura M.; Proctor, Amy; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type:
Article
System:
The UNT Digital Library
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
This article discusses a combined experimental and computational study of TpRu{P(pyr)3} (NCMe)Me (pyr = N-pyrrolyl).
Date:
October 4, 2007
Creator:
Foley, Nicholas A.; Lail, Marty; Gunnoe, T. Brent; Cundari, Thomas R., 1964-; Boyle, Paul D. & Petersen, Jeffrey L.
Object Type:
Article
System:
The UNT Digital Library
Complex Materials for Molecular Spintronics Applications: Cobalt Bis(dioxolene) Valence Tautomers, from Molecules to Polymers
This article discusses complex materials for molecular spintronics applications.
Date:
October 16, 2012
Creator:
Calzolari, Arrigo; Chen, Yifeng; Lewis, Geoffrey F.; Dougherty, Daniel B.; Shultz, David A. & Buongiorno Nardelli, Marco
Object Type:
Article
System:
The UNT Digital Library
Computational Investigations of Iodine Oxides
Article on a computational investigations of iodine oxides.
Date:
October 16, 1998
Creator:
Misra, Ashutosh & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Computational s-Block Thermochemistry with the Correlation Consistent Composite Approach
Article discussing research on computational s-block thermochemistry with the correlation consistent composite approach, which has been shown to accurately compute gas-phase enthalapies of formation for alkali and alkaline earth metal oxides and hydroxides.
Date:
October 3, 2007
Creator:
DeYonker, Nathan J.; Ho, Dustin S.; Wilson, Angela K. & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
Correlation and prediction of partition coefficients between the gas phase and water, and the solvents dodecane and undecane
Article on the correlation and prediction of partition coefficients between the gas phase and water, and the solvents dodecane and undecane.
Date:
October 29, 2004
Creator:
Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Corrosion Inhibition Effect of Pyridine-2-Thiol for Brass in An Acidic Environment
Article states that the inhibitive performance of pyridine-2-thiol added to a corrosive solution was investigated for brass using potentiodynamic polarization, electrochemical impedance spectroscopy, and X-ray photoelectron spectroscopy. Scanning electron microscopy showed defect free and less scale formation for the inhibited surface but the bare brass surface had larger amounts of scale formation. X-ray photoelectron spectroscopy and UV-vis spectroscopy was used to investigate surface chemical composition and inhibitor structural changes over time.
Date:
October 3, 2022
Creator:
Karunarathne, Darshan Jayasinghe; Aminifazl, Alireza; Abel, Tori E.; Quepons, Karen L. & Golden, Teresa Diane, 1963-
Object Type:
Article
System:
The UNT Digital Library
A covalently linked nickel(II) porphyrin–ruthenium(II) tris(bipyridyl) dyad for efficient photocatalytic water oxidation
Article describes how photocatalytic water splitting into H2 and O2 has attracted significant scientific interest for solar energy conversion applications during the last two decades. Authors of the article further elaborate that One of the half-reactions of this process, water oxidation, is known to be the key step in natural and artificial photosynthesis to convert and store solar energy.
Date:
October 5, 2022
Creator:
Nikoloudakis, Emmanouil; Alsaleh, Ajyal Z.; Charalambidis, Georgios; Coutsolelos, Athanassios G. & D'Souza, Francis
Object Type:
Article
System:
The UNT Digital Library
Cysne et al. Reply
This article is a response to a comment on the authors' original article "Disentangling Orbital and Valley Hall Effects in Bilayers of Transition Metal Dichalcogenides." The authors' response concludes that they do not believe the main points of the original Letter are affected by the Comment.
Date:
October 1, 2021
Creator:
Cysne, Tarik P.; Costa, Marcio; Canonico, Luis M.; Buongiorno Nardelli, Marco; Muniz, R. B. & Rappoport, Tatiana G.
Object Type:
Article
System:
The UNT Digital Library
Determination of molar refractions and Abraham descriptors for tris(acetylacetonato)chromium(iii), tris(acetylacetonato)iron(iii) and tris(acetylacetonato)cobalt(iii)
Article describes study in which researchers determined molar refractions of tris(acetylacetonato)chromium(III), tris(acetylacetonato)iron(III) and tris(acetylacetonato)cobalt(III).
Date:
October 23, 2017
Creator:
Abraham, M. H. (Michael H.); Acree, William E. (William Eugene); Fucaloro, Anthony F. & Zanella, Andrew W.
Object Type:
Article
System:
The UNT Digital Library
Dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach
Article on dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach.
Date:
August 5, 2013
Creator:
Calzolari, Arrigo & Buongiorno Nardelli, Marco
Object Type:
Article
System:
The UNT Digital Library
Effect of N-Methyl-pyrrolidone (NMP) on the Equilibrium Solubility of Meloxicam in Aqueous Media: Correlation, Dissolution Thermodynamics, and Preferential Solvation
Article describes a study of the drug Meloxicam in N-methyl-pyrrolidone (NMP)–aqueous mixtures at several temperatures to expand the solubility database about pharmaceutical compounds in aqueous–mixed solvents. Meloxicam is preferentially hydrated in water-rich mixtures but preferentially solvated by NMP in the composition interval of 0.16 < x1 < 1.00.
Date:
October 14, 2022
Creator:
Tinjacá, Darío; Martínez, Fleming; Almanza, Ovidio A.; Jouyban, Abolghasem & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library
This article presents the Automatic Anharmonic Phonon Library.
Date:
November 17, 2016
Creator:
Plata, Jose J.; Nath, Pinku; Usanmaz, Demet; Carrete, Jesús; Toher, Cormac; de Jong, Maarten et al.
Object Type:
Article
System:
The UNT Digital Library
Efficient separation of xylene isomers by a guest-responsive metal–organic framework with rotational anionic sites
Article demonstrating the adaptively molecular discrimination of xylene isomers by employing a NbOF52−-pillared metal–organic framework (NbOFFIVE-bpy-Ni, also referred to as ZU-61) with rotational anionic sites.
Date:
October 28, 2020
Creator:
Cui, Xili; Niu, Zheng; Shan, Chuan; Yang, Lifeng; Hu, Jianbo; Wang, Qingju et al.
Object Type:
Article
System:
The UNT Digital Library
Enhanced Corrosion Resistance and Surface Wettability of PVDF/ZnO and PVDF/TiO2 Composite Coatings: A Comparative Study
Article describes how this study aims to enhance the practical performance of PVDF/ZnO and PVDF/TiO2 composite coatings known for their distinctive properties. The coatings, applied through spray coating with PVDF and ZnO or TiO2 nanoparticles on glass, steel, and aluminum substrates, underwent a comprehensive evaluation.
Date:
October 4, 2023
Creator:
Mohamed, Adel M. A.; Alateyah, Abdulrahman I.; Hasan, Hosam; Matli, Penchal Reddy; El-Sayed Seleman, Mohamed M.; Ahmed, Essam et al.
Object Type:
Article
System:
The UNT Digital Library