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An ab initio study of the ionization of sodium superoxide
Article on an ab initio study of the ionization of sodium superoxide.
Date:
November 15, 1991
Creator:
Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Abraham Model Correlations for Triethylene Glycol Solvent Derived from Infinite Dilution Activity Coefficient, Partition Coefficient and Solubility Data Measured at 298.15 K
This article describes the use of a gas chromatographic headspace analysis method to experimentally determine gas-to-liquid partition coefficients and infinite dilution activity coefficients for 29 liquid organic solutes dissolved in triethylene glycol at 298.15 K.
Date:
November 9, 2017
Creator:
Sedov, Igor A.; Magsumov, Timur I.; Hart, Erin; Ramirez, Ashley M.; Cheeran, Sarah; Barrera, Maribel et al.
Object Type:
Article
System:
The UNT Digital Library
Ad-dimers on Strained Carbon Nanotubes: A New Route for Quantum Dot Formation?
Article on ad-dimers on strained carbon nano-tubes.
Date:
November 15, 1999
Creator:
Orlikowski, Daniel; Buongiorno Nardelli, Marco; Bernholc, Jerry & Roland, Christopher
Object Type:
Article
System:
The UNT Digital Library
Brittle and Ductile Behavior in Carbon Nanotubes
Article discussing research on the response of carbon nanotubes to a tensile load.
Date:
November 23, 1998
Creator:
Buongiorno Nardelli, Marco; Yakobson, Boris I. & Bernholc, Jerry
Object Type:
Article
System:
The UNT Digital Library
Charge stabilization via electron exchange: excited charge separation in symmetric, central triphenylamine derived, dimethylaminophenyl–tetracyanobutadiene donor–acceptor conjugates
This article hypothesizes and demonstrates a new mechanism to stabilize the charge separated states via the process of electron exchange among the different acceptor entities in multimodular donor–acceptor conjugates. This work constitutes the first example of stabilizing charge-separated states via the process of electron exchange.
Date:
November 13, 2020
Creator:
Yadav, Indresh S.; Alsaleh, Ajyal Z.; Misra, Rajneesh & D'Souza, Francis
Object Type:
Article
System:
The UNT Digital Library
Chemical and Genetic Studies on the Formation of Pyrrolones During the Biosynthesis of Cytochalasans
This article investigates the role of the highly conserved α,β-hydrolase enzymes PyiE and ORFZ during the biosynthesis of pyrichalasin H and the ACE1 metabolite, respectively, using gene knockout and complementation techniques. Taken together the results suggest that the α,β-hydrolase enzymes are essential for first ring cyclisation, but the precise nature of the intermediates remains to be determined.
Date:
November 4, 2020
Creator:
Zhang, Haili; Hantke, Verena; Bruhnke, Pia; Skellam, Elizabeth & Cox, Russell J.
Object Type:
Article
System:
The UNT Digital Library
Chlorido(4,4',4''-tri-tert-butyl-2,2':6',2''-terpyridine)platinum(II) chloride toluene monosolvate
In the title compound, [PtCl(C₂₇H₃₅N₃)]Cl·C₇H₈, the Ptᴵᴵ atom is coordinated in a pseudo-square-planar fashion by the N atoms of a 4,4',4''-tri-tert-butyl-2,2':6',2''-terpyridine ligand and a Cl atom.
Date:
November 22, 2010
Creator:
Batrice, Rami J.; Nesterov, Vladimir N. & Smucker, Bradley W.
Object Type:
Article
System:
The UNT Digital Library
Chlorido(4,4',4''-tri-tert-butyl-2,2':6',2''-terpyridine)platinum(II) tetrafluorido-borate
In the title compound, [PtCl(C₂₇H₃₅N₃)]Cl·C₇H₈, the Ptᴵᴵ atom is coordinated in a pseudo-square-planar coordination, which is typical of Pt-terpyridine complexes.
Date:
November 22, 2010
Creator:
Batrice, Rami J.; Nesterov, Vladimir N. & Smucker, Bradley W.
Object Type:
Article
System:
The UNT Digital Library
Combined Experimental and Computational Studies on the Nature of Aromatic C-H Activation by Octahedral Ruthenium(II) Complexes: Evidence for σ-Bond Metathesis from Hammett Studies
Article discussing combined experimental and computational studies on the nature of aromatic C-H activation by octahedral ruthenium(II) complexes of the type TpRu(L)(NCMe)R [Tp = hydridotris(pyrazolyl)borate; R = alkyl or aryl; L = CO or PMe3].
Date:
November 27, 2007
Creator:
DeYonker, Nathan J.; Foley, Nicholas A.; Cundari, Thomas R., 1964-; Gunnoe, T. Brent & Petersen, Jeffrey L.
Object Type:
Article
System:
The UNT Digital Library
Commentary on “Extended Hildebrand Approach: An Empirical Model for Solubility Prediction of Etodolac in 1,4-Dioxane and Water Mixtures”
This article provides a commentary on mathematical errors concerning the incorrect conversion of mass fraction to volume fraction concentrations of 1,4-dioxane, the incorrect conversion of mole fraction solubilities to molar solubilities of Etodolac, and the incorrect calculation of the ideal mole fraction solubility of Etodolac.
Date:
November 6, 2017
Creator:
Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Commentary on "Measurement and Correlation of the Solubility of Telmisartan (Form A) in Nine Different Solvents from 277.85 to 338.35 K"
This article presents the correct computation methodology for determining solute descriptors from experimental solubility data.
Date:
November 11, 2016
Creator:
Acree, William E. (William Eugene); Horton, Melissa Y.; Higgins, Elizabeth & Abraham, M. H. (Michael H.)
Object Type:
Article
System:
The UNT Digital Library
Comments Concerning "A Possible Simplification of the Goss-Modified Abraham Solvation Equation"
This article provides comments concerning "A possible simplification of the Goss-modified Abraham solvation equation," published in Chemosphere in 2013.
Date:
November 1, 2015
Creator:
Acree, William E. (William Eugene); Brumfield, Michela & Abraham, M. H. (Michael H.)
Object Type:
Article
System:
The UNT Digital Library
Comments Concerning Solvent Effects on Chemical Processes. Part 7. Quantitative Description of the Composition Dependence of the Solvent Polarity Measure ET(30) in Binary Aqueous-Organic Solvent Mixtures
This article critically examines a two-step solvational model for mathematically describing the spectral properties of the DImroth-Reichardt betaine dye ET in binary aqueous-organic solvent mixures.
Date:
November 7, 1994
Creator:
Acree, William E. (William Eugene); Powell, Joyce R. & Tucker, Sheryl A. (Sheryl Ann)
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
A Computational Study of Adducts Between Atomic Chlorine and Carbon Dioxide, Carbonyl Sulfide and Carbon Disulfide
Article on a computational study of adducts between atomic chlorine and carbon dioxide, carbonyl sulfide and carbon disulfide.
Date:
November 15, 1991
Creator:
Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Computational Study of the Kinetics of Hydrogen Abstraction from Fluoromethanes by the Hydroxyl Radical
Article on a computational study of the kinetics of hydrogen abstraction from fluoromethanes by the hydroxyl radical.
Date:
November 13, 1998
Creator:
Schwartz, Martin; Marshall, Paul; Berry, Rajiv; Ehlers, C. J. & Petersson, George A.
Object Type:
Article
System:
The UNT Digital Library
Computational Study of the Thermochemistry of N₂O₅ and the Kinetics of the Reaction N₂O₅ + H₂O → 2 HNO₃
Article on a computational study of the thermochemistry of N₂O₅ and the Kinetics of the Reaction N₂O₅ + H₂O → 2 HNO₃.
Date:
November 7, 2014
Creator:
Alecu, I. M. & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Controlling Topological States in Topological/Normal Insulator Heterostructures
This article contains a systematic investigation of the nature of the nontrivial interface states in topological/normal insulator (TI/NI) heterostructures.
Date:
November 26, 2018
Creator:
Costa, Marcio; Costa, Antônio T.; Freitas, Walter A.; Schmidt, Tome M.; Buongiorno Nardelli, Marco & Fazzio, Adalberto
Object Type:
Article
System:
The UNT Digital Library
Covalency in Fe2O3 and FeO: Consequences for XPS satellite intensity
Article examines the covalent character of the interaction between the metal cation and the oxygen ligands for two Fe oxides with different nominal oxidation states, Fe(II)O, and Fe(III)₂O₃.
Date:
November 17, 2020
Creator:
Bagus, Paul S.; Nelin, Connie J.; Brundle, C. R.; Crist, B. Vincent; Lahiri, N. & Rosso, Kevin M.
Object Type:
Article
System:
The UNT Digital Library
Crystal structure of (3E,5E)-3,5-bis[4-(diethylazaniumyl)benzylidene]-1-methyl-4-oxopiperidin-1-ium trichloride dihydrate: a potential biophotonic material
This article describes the crystal structure of the title compound, and examines application as an agent for locating cancer cells with two-photon excited fluorescence as as a potential agent for a photodynamic treatment of cancer. This article includes supporting information with computing details of the study.
Date:
November 4, 2015
Creator:
Nesterov, Volodymyr V.; Zakharov, Lev N.; Nesterov, Vladimir N. & Shulaev, Vladimir
Object Type:
Article
System:
The UNT Digital Library
Crystal structure of (3E,5E)-3,5-bis[4-(diethylazaniumyl)benzylidene]-1-methyl-4-oxopiperidin-1-ium trichloride dihydrate: a potential biophotonic material
Article provides a detailed description of the crystal structure of (3E,5E)-3,5-bis[4-(diethylazaniumyl)benzylidene]-1-methyl-4-oxopiperidin-1-ium trichloride dihydrate
Date:
November 21, 2015
Creator:
Nesterov, Volodymyr V.; Zakharov, Lev N.; Nesterov, Vladimir N. & Shulaev, Vladimir
Object Type:
Article
System:
The UNT Digital Library
Electrochemical Formation of Cerium Oxide/Layered Silicate Nanocomposite Films
This article presents electrochemical deposition of a ceramic with nanoclay addition, cerium oxide/layered silicate films.
Date:
November 17, 2016
Creator:
Wang, Adele Qi & Golden, Teresa
Object Type:
Article
System:
The UNT Digital Library
Electrochemical sensor for selective tyramine determination, amplified by a molecularly imprinted polymer film
This article devised, fabricated, and tested a molecularly imprinted polymer (MIP) film based electrochemical sensor for selective determination of tyramine.
Date:
November 17, 2020
Creator:
Ayerdurai, Viknasvarri; Cieplak, Maciej; Noworyta, Krzysztof R.; Gajda, Marianna; Ziminska, Agnieszka; Sosnowska, Marta et al.
Object Type:
Article
System:
The UNT Digital Library
Electrochemical Synthesis of Rare Earth Ceramic Oxide Coatings
This book chapter discusses the electrochemical synthesis of lanthanum, cerium, and praseodymium oxides.
Date:
November 11, 2015
Creator:
Golden, Teresa; Shang, Yajuan; Wang, Qi & Zhou, Ting
Object Type:
Book Chapter
System:
The UNT Digital Library