Thermochemical Investigations of Associated Solutions: Calculation of Solute-Solvent Equilibrium Constants from Solubility Measurements (open access)

Thermochemical Investigations of Associated Solutions: Calculation of Solute-Solvent Equilibrium Constants from Solubility Measurements

Article on thermochemical investigations of associated solutions and the calculation of solute-solvent equilibrium constants from solubility measurements.
Date: August 1, 1983
Creator: Acree, William E. (William Eugene); McHan, Danny R. & Rytting, J. Howard
Object Type: Article
System: The UNT Digital Library
Comments on "Topological investigation of molecular interactions in ternary mixtures of non-electrolytes: Excess Gibbs free energy of mixing" (open access)

Comments on "Topological investigation of molecular interactions in ternary mixtures of non-electrolytes: Excess Gibbs free energy of mixing"

Article commenting on "Topological investigation of molecular interactions in ternary mixtures of non-electrolytes: Excess Gibbs free energy mixing."
Date: August 1991
Creator: Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Linear Free Energy Relationship Correlations for Enthalpies of Solvation of Organic Solutes into Room-Temperature Ionic Liquids Based on the Abraham Model with Ion-Specific Equation Coefficients (open access)

Linear Free Energy Relationship Correlations for Enthalpies of Solvation of Organic Solutes into Room-Temperature Ionic Liquids Based on the Abraham Model with Ion-Specific Equation Coefficients

Article discussing the linear free energy relationship correlations for enthalpies of solvation of organic solutes into room-temperature ionic liquids based on the Abraham model with ion-specific equation coefficients.
Date: August 3, 2009
Creator: Sprunger, Laura M.; Achi, Sai S.; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type: Article
System: The UNT Digital Library
Experimental and Kinetic Modeling Study of Acetylene Oxidation at High Pressure (open access)

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
Expanding the Equilibrium Solubility and Dissolution Thermodynamics of Benzoic Acid in Aqueous Alcoholic Mixtures (open access)

Expanding the Equilibrium Solubility and Dissolution Thermodynamics of Benzoic Acid in Aqueous Alcoholic Mixtures

This article determines the equilibrium solubility of benzoic acid in water and ethanol, as well as in nine {ethanol (1) + water (2)} mixtures from T = (293.15 to 323.15) K. The thermodynamic results presented could be useful in optimizing different physical and chemical processes involving benzoic acid in mixed aqueous-ethanol media.
Date: August 1, 2022
Creator: Akay, Sema; Kayan, Berkant; Peña, M. Ángeles; Jouyban, Abolghasem; Martínez, Fleming & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Thermochemistry of 2-amino-3-quinoxalinecarbonitrile-1, 4-dioxide. Evaluation of the mean dissociation enthalpy of the (N-O) bond (open access)

Thermochemistry of 2-amino-3-quinoxalinecarbonitrile-1, 4-dioxide. Evaluation of the mean dissociation enthalpy of the (N-O) bond

Article on the thermochemistry of 2-amino-3-quinoxalinecarbonitrile-1,4-dioxide and an evaluation of the mean dissociation enthalpy of the (N-O) bond.
Date: August 10, 2004
Creator: Silva, Maria D. M. C. Ribeiro da; Gomes, José R. B.; Gonçalves, Jorge M.; Sousa, Emanuel A.; Pandey, Siddharth & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Enthalpies of combustion of four N-phenylmethylene benzenamine N-oxide derivatives, of N-phenylmethylene benzenamine, and of trans-diphenyldiazene N-oxide: the dissociation enthalpy of the (N-O) bonds (open access)

Enthalpies of combustion of four N-phenylmethylene benzenamine N-oxide derivatives, of N-phenylmethylene benzenamine, and of trans-diphenyldiazene N-oxide: the dissociation enthalpy of the (N-O) bonds

Article on enthalpies of combustion of four N-phenylmethylene benzenamine N-oxide derivatives, of N-phenylmethylene benzenamine, and of trans-diphenyldiazene N-oxide and the dissociation enthalpy of the (N-O) bonds.
Date: August 1, 1986
Creator: Kirchner, James J.; Acree, William E. (William Eugene); Pilcher, Geoffrey & Shaofeng, Li
Object Type: Article
System: The UNT Digital Library
Theoretical Estimation of Vibrational Frequencies Involving Transition Metal Compounds (open access)

Theoretical Estimation of Vibrational Frequencies Involving Transition Metal Compounds

This article discusses the theoretical estimation of vibrational frequencies involving transition metal compounds.
Date: August 7, 1997
Creator: Cundari, Thomas R., 1964- & Raby, Philip D.
Object Type: Article
System: The UNT Digital Library
Buckminsterfullerene, C₆₀: Improved Synthesis, Electron Microscopy, Electron States, Anions and Related Aspects (open access)

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
Hole-punching for enhancing electrocatalytic activities of 2D graphene electrodes: Less is more (open access)

Hole-punching for enhancing electrocatalytic activities of 2D graphene electrodes: Less is more

Article develops 2D carbon electrocatalysts based on graphene with and without punched holes and/or N-doping and performs a comprehensive combined experimental and theoretical study on the edge and surface electrocatalytic activities of single-layer 2D graphene sheets.
Date: August 17, 2020
Creator: Xia, Zhenhai; Gao, Yunxiang; Zhang, Lipeng; Li, Chang Ming & Dai, Liming
Object Type: Article
System: The UNT Digital Library
Calculations of the Relative Energies of the 2B1g and 2A2u States of Cyclobutanetetraone Radical Cation and Radical Anion Provide Further Evidence of a 3B2u Ground State for the Neutral Molecule: A Proposed Experimental Test of the Prediction of a Triplet Ground State for (CO)4 (open access)

Calculations of the Relative Energies of the 2B1g and 2A2u States of Cyclobutanetetraone Radical Cation and Radical Anion Provide Further Evidence of a 3B2u Ground State for the Neutral Molecule: A Proposed Experimental Test of the Prediction of a Triplet Ground State for (CO)4

Article on a proposed experimental test of the prediction of a triplet ground state for (CO)4.
Date: August 18, 2009
Creator: Zhou, Xin; Hrovat, David A. & Borden, Weston T.
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 (open access)

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
Comment on "Systematic Investigation of the Sorption Properties of Polyurethane Foams for Organic Vapors" (open access)

Comment on "Systematic Investigation of the Sorption Properties of Polyurethane Foams for Organic Vapors"

This article gives a comment to a previous article entitled "Systematic investigation of the sorption properties of polyurethane foams for organic vapors."
Date: August 4, 2007
Creator: Sprunger, Laura M.; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
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 (open access)

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
First-principles property assessment of hybrid formate perovskites (open access)

First-principles property assessment of hybrid formate perovskites

Article discusses how hybrid organic–inorganic formate perovskites, AB(HCOO)3, are a large family of compounds that exhibit a variety of phase transitions and diverse properties, such as (anti)ferroelectricity, ferroelasticity, (anti)ferromagnetism, and multiferroism. While many properties of these materials have already been characterized, the authors seek to focus on the comprehensive property assessment of a large number of formate perovskites.
Date: August 17, 2023
Creator: Popoola, Abduljelili; Ghosh, P. S.; Kingsland, Maggie; Kashikar, Ravi; DeTellem, D.; Xu, Yixuan et al.
Object Type: Article
System: The UNT Digital Library
Predicting Solubility of Anthracene in Non-aqueous Solvent Mixtures Using a Combination of Jouyban-Acree and Abraham Models (open access)

Predicting Solubility of Anthracene in Non-aqueous Solvent Mixtures Using a Combination of Jouyban-Acree and Abraham Models

Article on predicting the solubility of anthracene in non-aqueous solvent mixtures using a combination of Jouyban-Acree and Abraham models.
Date: August 1, 2006
Creator: Jouyban, Abolghasem; Khoubnasabjafari, Maryam & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Review—Two Different Multiple Photosynthetic Reaction Centers Using Either Zinc Porphyrinic Oligopeptide-Fulleropyrrolidine or Free-Base Porphyrinic Polypeptide-Li+@C60 Supramolecular Complexes (open access)

Review—Two Different Multiple Photosynthetic Reaction Centers Using Either Zinc Porphyrinic Oligopeptide-Fulleropyrrolidine or Free-Base Porphyrinic Polypeptide-Li+@C60 Supramolecular Complexes

Article presents an overview of two successful examples of photosynthetic reaction center models combined with light-capturing antenna chromophores. This article is part of the JSS Focus Issue on Porphyrins, Phthalocyanines, and Supramolecular Assemblies in Honor of Karl M. Kadish.
Date: August 10, 2020
Creator: D'Souza, Francis; Solladié, Nathalie; Fukuzumi, Shunichi; Ohkubo, Kei; Rein, Régis; Saito, Kenji et al.
Object Type: Article
System: The UNT Digital Library
Multi-modal surface analysis of porous films under operando conditions (open access)

Multi-modal surface analysis of porous films under operando conditions

Article presents thin film analogs of practical catalysts that allow for the implementation of surface characterization tools, including advanced microscopy and operando spectroscopy methodologies.
Date: August 4, 2020
Creator: Eads, Calley N.; Zhong, Jian-Qiang; Kim, Donghun; Akter, Nusnin; Chen, Zhihengyu; Norton, Angela M. et al.
Object Type: Article
System: The UNT Digital Library
trans-Dichloridotetrapyrazine-ruthenium(II) dichloromethane disolvate (open access)

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
Correlation and prediction of partition coefficient between the gas phase and water, and the solvents dry methyl acetate, dry and wet ethyl acetate, and dry and wet butyl acetate (open access)

Correlation and prediction of partition coefficient between the gas phase and water, and the solvents dry methyl acetate, dry and wet ethyl acetate, and dry and wet butyl acetate

Article discussing research on the correlation and prediction of partition coefficient between the gas phase and water, and the solvents dry methyl acetate, dry and wet ethyl acetate, and dry and wet butyl acetate.
Date: August 25, 2008
Creator: Sprunger, Laura M.; Proctor, Amy; Acree, William E. (William Eugene); Abraham, M. H. (Michael H.) & Benjellou-Dakhama, Nora
Object Type: Article
System: The UNT Digital Library
Cation-specific and anion-specific Abraham model correlations for solute transfer into ionic liquid solvents (open access)

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 (open access)

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 (open access)

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
Phonon Softening and High-Pressure Low-Symmetry Phases of Cesium Iodide (open access)

Phonon Softening and High-Pressure Low-Symmetry Phases of Cesium Iodide

Article on phonon softening and high-pressure low-symmetry phases of cesium iodide.
Date: August 17, 1992
Creator: Buongiorno Nardelli, Marco; Baroni, Stefano & Giannozzi, Paolo
Object Type: Article
System: The UNT Digital Library