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open access

The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes

Description: This article discusses the reactivity patterns of low-coordinate iron-hydride complexes. The authors report a survey of the reactivity of the first isolable iron-hydride complexes with a coordiination number less than 5.
Date: April 30, 2008
Creator: Yu, Ying; Sadique, Azwana R.; Smith, Jeremy M.; Dugan, Thomas R.; Cowley, Ryan E.; Brennessel, William W. et al.
Partner: UNT College of Arts and Sciences
open access

Activity Coefficients at Infinite Dilution for Organic Solutes Dissolved in Three 1-Alkyl-1-methylpyrrolidinium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Bearing Short Linear Alkyl Side Chains of Three to Five Carbons

Description: Article discussing activity coefficients at infinite dilution for organic solutes dissolved in three 1-alkyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide ionic liquids bearing short linear alkyl side chains of three to five carbons.
Date: July 30, 2013
Creator: Mutelet, Fabrice; Hassan, El-Sayed R. E.; Stephens, Timothy W.; Acree, William E. (William Eugene) & Baker, Gary A.
Partner: UNT College of Arts and Sciences
open access

Thermochemical and Theoretical Study of Some Quinoxaline 1,4-Dioxides and of Pyrazine 1,4-Dioxide

Description: Article on a thermochemical and theoretical study of some quinoxaline 1,4-dioxides and of pyrazine 1,4-dioxide.
Date: May 30, 1997
Creator: Acree, William E. (William Eugene); Powell, Joyce R.; Tucker, Sheryl A. (Sheryl Ann); Silva, Maria D. M. C. Ribeiro da; Matos, M. Agostinha R.; Gonçalves, Jorge M. et al.
Partner: UNT College of Arts and Sciences
open access

An NMR Method for Quantitative Assessment of Intramolecular Hydrogen Bonding; Application to Physiochemical, Environmental, and Biochemical Properties

Description: Article on an NMR method for the quantitative assessment of intramolecular hydrogen bonding and an application to physiochemical, environmental, and biochemical properties.
Date: October 30, 2014
Creator: Abraham, M. H. (Michael H.); Abraham, Raymond J.; Acree, William E. (William Eugene); Aliev, Abil E.; Leo, Albert J. & Whaley, William L.
Partner: UNT College of Arts and Sciences
open access

Further Numerical Analyses on the Solubility of Sulfapyridine in Ethanol + Water Mixtures

Description: This article aims to correlate the solubility of sulfapyridine and sulfadiazine in ethanol + water mixtures by means of the Jouyban-Acree model, and to evaluate the preferential solvation of sulfapyridine in these mixtures by using the inverse Kirkwood-Buff integrals.
Date: September 30, 2016
Creator: Delgado, Daniel R.; Peña, María Á.; Martínez, Fleming; Jouyban, Abolghasem & Acree, William E. (William Eugene)
Partner: UNT College of Arts and Sciences
open access

Further Analysis on Solubility Measurement and Thermodynamic Modeling of Benzoic Acid in Monosolvents and Binary Mixtures

Description: Article discussing further analyses of the recent report (by Sandeepa et al.) on the solubility of benzoic acid in six monosolvents (i.e. tributyl phosphate, diacetone alcohol, methyl-n-propyl ketone, methyl acetate, amyl acetate, and isooctane) and five binary systems (i.e. ethanol + hexane, isopropyl alcohol + hexane and chloroform + hexane, acetone + hexane, and acetone + water) along with some numerical analyses. The reported calculations have been reanalyzed based on combined nearly ideal b… more
Date: June 30, 2019
Creator: Jouyban, Abolghasem; Rahimpour, Elaheh & Acree, William E. (William Eugene)
Partner: UNT College of Science
open access

Occurrence of excited state charge separation in a N-doped graphene–perylenediimide hybrid formed via ‘click’ chemistry

Description: 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.
Partner: UNT College of Science
open access

Apparent Specific Volumes of Sucrose in Different Aqueous Cosolvent Mixtures at 298.2 K

Description: This article explores research to determine the apparent specific volume of sucrose by measuring the density of sucrose in {cosolvent + water} mixtures at 298.2 K. The study finds that a mean apparent specific volume value of 0.632 cm³.g⁻¹ for sucrose in different aqueous-cosolvent mixtures could be adequate for practical purposes in pharmaceutical industries.
Date: December 30, 2018
Creator: Tinjacá, Darío; Muñoz, María M.; Martínez, Fleming; Jouyban, Abolghasem & Acree, William E. (William Eugene)
Partner: UNT College of Science
open access

Aggregation-induced phosphorescence sensitization in two heptanuclear and decanuclear gold–silver sandwich clusters

Description: 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.
Partner: UNT College of Science
open access

Evaluation of nine condensed-phase force fields of the GROMOS, CHARMM, OPLS, AMBER, and OpenFF families against experimental cross-solvation free energies

Description: This article builds on a previous study [Kashefolgheta et al., J. Chem. Theory. Comput., 2020, 16, 7556–7580] by extending the comparison to five additional force fields, GROMOS-54A7, GROMOS-ATB, OPLS-LBCC, AMBER-GAFF2, and OpenFF.
Date: April 30, 2021
Creator: Kashefolgheta, Sadra; Wang, Shuzhe; Acree, William E. (William Eugene) & Hünenberger, Philippe H.
Partner: UNT College of Science
open access

Three Component Cascade Reaction of Cyclohexanones, Aryl Amines, and Benzoylmethylene Malonates: Cooperative Enamine-Brønsted Acid Approach to Tetrahydroindoles

Description: Article discusses how a three-component cascade reaction comprising cyclic ketones, arylamines, and benzoylmethylene malonates has been developed to access 4,5,6,7-tetrahydro-1H-indoles. Furthermore, the reaction was achieved through cooperative enamine-Brønsted catalysis in high yields with wide substrate scopes.
Date: November 30, 2022
Creator: Vasquez, Jose Cortes; Alharbi, Waad S.; Davis, Jacqkis; Moore, Alexia; Nesterov, Vladimir N.; Cundari, Thomas R., 1964- et al.
Partner: UNT College of Science
open access

Temperature dependent rate coefficients for the gas-phase OH + Furan-2,5-dione (C4H2O3, maleic anhydride) reaction

Description: Authors of the article assert that rate coefficients, k1(T), for the gas-phase reaction of the OH radical with Furan-2,5-dione (maleic anhydride (MA), C4H2O3), a biomass burning related compound, were measured under pseudo first-order conditions in OH using the pulsed laser photolysis - laser induced fluorescence method over a range of temperature and bath gas pressure. Their results are compared with a previous room temperature relative rate study of the OH + MA reaction and significant discre… more
Date: May 30, 2020
Creator: Chattopadhyay, Aparajeo; Papadimitriou, Vassileios C.; Marshall, Paul & Burkholder, James B. (James Bart), 1954-
Partner: UNT College of Science
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