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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
Supplemental Material: Enthalpy of Solvation Correlations for Gaseous Solutes Dissolved in Alcohol Solvents Based on the Abraham Model (open access)

Supplemental Material: Enthalpy of Solvation Correlations for Gaseous Solutes Dissolved in Alcohol Solvents Based on the Abraham Model

This document includes supplemental material to an article titled "Enthalpy of solvation correlations for gaseous solutes dissolved in alcohol solvents based on the Abraham model," published in QSAR & Combinatorial Science.
Date: December 7, 2007
Creator: Mintz, Christina; Ladlie, Tara; Burton, Katherine; Clark, Michael; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type: Text
System: The UNT Digital Library
Comments on "Role of Anions (Tetrafluoroborate, Perchlorate) of Tetrabutylammonium Salts in Determining Solvation Effects Prevailing in Industrially Essential Solvents Probed by Conductance and FT-IR Spectra" (open access)

Comments on "Role of Anions (Tetrafluoroborate, Perchlorate) of Tetrabutylammonium Salts in Determining Solvation Effects Prevailing in Industrially Essential Solvents Probed by Conductance and FT-IR Spectra"

Article commenting on "Role of Anions (tetrafluoroborate, perchlorate) of tetrabutylammonium salts in determining solvation effects prevailing in industrially essential solvents probed by conductance and FT-IR spectra.
Date: March 7, 2014
Creator: Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Comment on "Measurement and Correlation of Solubilities of (Z)-2-(2-Aminothiazol-4-yl)-2-methoxyiminoacetic Acid in Different Pure Solvents and Binary Mixtures of Water + (Ethanol, Methanol, or Glycol)" (open access)

Comment on "Measurement and Correlation of Solubilities of (Z)-2-(2-Aminothiazol-4-yl)-2-methoxyiminoacetic Acid in Different Pure Solvents and Binary Mixtures of Water + (Ethanol, Methanol, or Glycol)"

Article commenting on an article titled, "Measurement and correlation of solubilities of (Z)-2-(2-aminothiazol-4-yl)-2-methoxyiminoacetic acid in different pure solvents and binary mixtures of water + (ethanol, methanol, or glycol)," published in March 2011.
Date: March 7, 2012
Creator: Jouyban, Abolghasem; Fakhree, Mohammad Amin Abolghassemi & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Infinite Dilution Activity Coefficients of Solutes Dissolved in Two Trihexyl(tetradecyl)phosphonium ionic liquids (open access)

Infinite Dilution Activity Coefficients of Solutes Dissolved in Two Trihexyl(tetradecyl)phosphonium ionic liquids

Article discussing infinite dilution activity coefficients of solutes dissolved in two trihexyl(tetradecyl)phosphonium ionic liquids.
Date: May 7, 2014
Creator: Mutelet, Fabrice; Alonso, Dominique; Stephens, Timothy W.; Acree, William E. (William Eugene) & Baker, Gary A.
Object Type: Article
System: The UNT Digital Library
Enthalpies of Sublimation of Organic and Organometallic Compounds. 1910-2001 (open access)

Enthalpies of Sublimation of Organic and Organometallic Compounds. 1910-2001

Article on enthalpies of sublimation of organic and organometallic compounds.
Date: June 7, 2002
Creator: Chickos, James S. & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
A General Treatment of Solubility. 3. Principal Component Analysis (PCA) of the Solubilities of Diverse Solutes in Diverse Solvents (open access)

A General Treatment of Solubility. 3. Principal Component Analysis (PCA) of the Solubilities of Diverse Solutes in Diverse Solvents

Article discussing a general treatment of solubility and principle component analysis (PCA) of the solubilities of diverse solutes in diverse solvents.
Date: June 7, 2005
Creator: Katritzky, Alan R.; Tulp, Indrek; Fara, Dan C.; Lauria, Antonino; Maran, Uko, 1966- & Acree, William E. (William Eugene)
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
The relaxation of OH (v = 1) and OD (v = 1) by H2O and D2O at temperatures from 251 to 390 K (open access)

The relaxation of OH (v = 1) and OD (v = 1) by H2O and D2O at temperatures from 251 to 390 K

Article on the relaxation of OH (v = 1) and OD (v = 1) by H₂O and D₂O at temperatures from 251 to 390 K.
Date: June 30, 2006
Creator: McCabe, D. C.; Rajakumar, B.; Marshall, Paul; Smith, Ian W. M. & Ravishankara, A. R.
Object Type: Article
System: The UNT Digital Library
Studies of the kinetics and thermochemistry of the forward and reverse reaction Cl + C₆H₆ = HCl + C₆H₅ (open access)

Studies of the kinetics and thermochemistry of the forward and reverse reaction Cl + C₆H₆ = HCl + C₆H₅

Article on studies of the kinetics and thermochemistry of the forward and reverse reaction Cl + C₆H₆ = HCl + C₆H₅.
Date: February 7, 2007
Creator: Alecu, I. M.; Gao, Yide; Hsieh, P-C; Sand, Jordan P.; Ors, Ahmet; McLeod, A. et al.
Object Type: Article
System: The UNT Digital Library
Ab Initio Calculations and Kinetic Modeling of Halon and Halon Replacements (open access)

Ab Initio Calculations and Kinetic Modeling of Halon and Halon Replacements

Paper for the 1996 Halon Options Technical Working Conference (HOTWC). This paper discusses ab initio calculations and kinetic modeling of halon and halon replacements.
Date: May 7, 1996
Creator: Paige, Harvey L.; Berry, Rajiv; Schwartz, Martin; Marshall, Paul; Burgess, Donald R.; Zachariah, Michael Russel, 1957- et al.
Object Type: Paper
System: The UNT Digital Library
Laser-Induced Fluorescence and Mass Spectrometric Studies of the Cu + HCl Reaction over a Wide Temperature Range. Formation of HCuCl (open access)

Laser-Induced Fluorescence and Mass Spectrometric Studies of the Cu + HCl Reaction over a Wide Temperature Range. Formation of HCuCl

Article on laser-induced fluorescence and mass spectrometric studies of the Cu + HCl reaction over a wide temperature range and the formation of HCuCl.
Date: November 7, 1996
Creator: Belyung, David P.; Hranisavljevic, Jasmina; Kashireninov, Oleg E.; Santana, G. Mauricio; Fontijn, A. (Arthur) & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Characterization of Reaction Pathways on the Potential Energy Surfaces for H + SO2 and HS + O2 (open access)

Characterization of Reaction Pathways on the Potential Energy Surfaces for H + SO2 and HS + O2

Article on the characterization of reaction pathways on the potential energy surfaces for H + SO2 and HS + O2.
Date: December 7, 1999
Creator: Goumri, Abdellatif; Rocha, John-David Ray; Laakso, Dianna; Smith, C. E. & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
The Kinetics of the NH Reaction with H2 and Reassessment of HNO Formation from NH + CO2, H2O (open access)

The Kinetics of the NH Reaction with H2 and Reassessment of HNO Formation from NH + CO2, H2O

Article on kinetics of the NH reaction with H2 and reassessment of HNO formation from NH + CO2, H2O.
Date: February 7, 2006
Creator: Fontijn, A. (Arthur); Shamsuddin, Sayed M.; Crammond, Duane; Marshall, Paul & Anderson, William R.
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 (open access)

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
Synthesis and Characterization of Dimethylbis(2-pyridyl)borate Nickel(II) Complexes: Unimolecular Square-Planar to Square-Planar Rotation around Nickel(II) (open access)

Synthesis and Characterization of Dimethylbis(2-pyridyl)borate Nickel(II) Complexes: Unimolecular Square-Planar to Square-Planar Rotation around Nickel(II)

This article reports the synthesis, characterization, and solution dynamics of the novel nickel(II) complexes (dimethylbis(2-pyridyl)borate)(triphenylphosphine)nickel(II) chloride (4) and (dimethylbis(2-pyridyl)borate)nickel(II) acetylacetonate (6).
Date: April 7, 2014
Creator: Celaje, Jeff A.; Pennington-Boggio, Megan K.; Flaig, Robinson W.; Richmond, Michael G. & Williams, Travis J.
Object Type: Article
System: The UNT Digital Library

Commentary on "Effect of β-alanine and the solvent composition on the solubility of solvate of calcium D-pantothenate containing four molecules of methanol and one molecule of water (D-PC·4MeOH·1H₂O)"

This article points out problems associated with two of the mathematical treatments used by authors Han et al. (2017) for the solubility behavior of calcium D-panthenate solvate as the mole fraction concentration β-alanine approaches zero.
Date: February 7, 2017
Creator: Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library

Solubility and preferential solvation of some n-alkyl-parabens in methanol + water mixtures at 298.15 K

This article describes methyl, ethyl and propyl parabens equilibrium solubility as determined in (methanol + water) binary mixtures at 298.15 K.
Date: January 7, 2017
Creator: Cárdenas, Zaira J.; Jiménez, Daniel M.; Delgado, Daniel R.; Almanza, Ovidio A.; Jouyban, Abolghasem; Martínez, Fleming et al.
Object Type: Article
System: The UNT Digital Library
Comment on "Measurement and correlation of the solubility of p-coumaric acid in nine pure and water + ethanol mixed solvents at temperatures from 293.15 to 333.15 K" (open access)

Comment on "Measurement and correlation of the solubility of p-coumaric acid in nine pure and water + ethanol mixed solvents at temperatures from 293.15 to 333.15 K"

This article provides comments on the article "Measurement and correlation of the solubility of p-coumaric acid in nine pure and water + ethanol mixed solvents at temperatures from 293.15 to 333.15 K" published in the Journal of Chemical and Engineering Data in 2016.
Date: December 7, 2016
Creator: Acree, William E. (William Eugene); Barrera, Maribel & Abraham, M. H. (Michael H.)
Object Type: Article
System: The UNT Digital Library
Isotope Effect on the Thermal Conductivity of Graphene (open access)

Isotope Effect on the Thermal Conductivity of Graphene

This article studies the thermal conductivity (TC) of isolated graphene with different concentrations of isotope.
Date: July 7, 2010
Creator: Zhang, Hengji; Lee, Geunsik; Fonseca, Alexandre F.; Borders, Tammie L. & Cho, Kyeongjae
Object Type: Article
System: The UNT Digital Library
Graphene Magnetic Tunnel Junction Spin Filters and Methods of Making (open access)

Graphene Magnetic Tunnel Junction Spin Filters and Methods of Making

Patent relating to methods of forming a few molecule thick graphene layer on a ferromagnetic layer, at temperatures and conditions consistent with integration with silicon-based complementary metal oxide semiconductors (Si CMOS).
Date: May 25, 2012
Creator: Kelber, Jeffry A. & Zhou, Mi
Object Type: Patent
System: The UNT Digital Library
Toward a More Rational Design of the Direct Synthesis of Aniline: A Density Functional Theory Study (open access)

Toward a More Rational Design of the Direct Synthesis of Aniline: A Density Functional Theory Study

This article uses plane-wave density functional theory calculations to investigate the direct amination of benzene catalyzed by a Ni(111) surface to explore the reaction intermediates and to understand the role of nickel in this reaction.
Date: March 24, 2017
Creator: Alsunaidi, Zainab H. A.; Cundari, Thomas R., 1964- & Wilson, Angela K.
Object Type: Article
System: The UNT Digital Library
Experimental and Computational Studies of the Kinetics of the Reaction of Hydrogen Atoms with Carbon Disulfide (open access)

Experimental and Computational Studies of the Kinetics of the Reaction of Hydrogen Atoms with Carbon Disulfide

Article discussing an investigation of the reaction of H + CS₂ products. The reaction was found to be pressure dependent and in the fall-off region or near the low pressure limit. Transition state theory yields an estimate for the high-pressure limit of addition over 290–300 K of 1.3 × 10−9 exp( −7.2 kJ mol −1 /RT) cm3 molecule −1 s −1. Uncertainties are discussed in the text.
Date: July 7, 2018
Creator: Kerr, Katherine E.; Gao, Yide & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Formation and Photoinduced Electron Transfer in Porphyrin- and Phthalocyanine-Bearing N-Doped Graphene Hybrids Synthesized by Click Chemistry (open access)

Formation and Photoinduced Electron Transfer in Porphyrin- and Phthalocyanine-Bearing N-Doped Graphene Hybrids Synthesized by Click Chemistry

Article presents research where N-doped graphene (NG) has been covalently decorated with porphyrin and phthalocyanine moieties using click chemistry. Evidence of charge separation in these hybrids is secured from femtosecond transient absorption studies, acting NG as electron acceptor.
Date: March 7, 2022
Creator: Arellano, Luis M.; Gobeze, Habtom B.; Barrejón, Myriam; Parejo, Concepción; Álvarez, Julio C.; Gómez-Escalonilla, María J. et al.
Object Type: Article
System: The UNT Digital Library