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Computational Study of C-H Bond Strengths in Polyfluoroalkanes (open access)

Computational Study of C-H Bond Strengths in Polyfluoroalkanes

Article on a computational study of C-H bond strengths in polyfluoroalkanes.
Date: April 10, 1997
Creator: Marshall, Paul & Schwartz, Martin
Object Type: Article
System: The UNT Digital Library
Solubility of Chlordiazepoxide, Diazepam, and Lorazepam in Ethanol + Water Mixtures at 303.2 K (open access)

Solubility of Chlordiazepoxide, Diazepam, and Lorazepam in Ethanol + Water Mixtures at 303.2 K

Article discussing the solubility of chlordiazepoxide, diazepam, and lorazepam in ethanol + water mixtures at 303.2 K.
Date: April 22, 2009
Creator: Jouyban, Abolghasem; Shokri, Javad; Barzegar-Jalali, Mohammad; Hassanzadeh, Davoud; Acree, William E. (William Eugene); Ghafourian, Taravat et al.
Object Type: Article
System: The UNT Digital Library
Modeling Nonlinear Optical Properties of Transition Metal Complexes. Basis Set, Effective Core Potential, and Geometry Effects (open access)

Modeling Nonlinear Optical Properties of Transition Metal Complexes. Basis Set, Effective Core Potential, and Geometry Effects

Article discussing modeling nonlinear optical properties of transition metal complexes and the basis set, effective core potential, and geometry effects.
Date: April 4, 1998
Creator: Cundari, Thomas R., 1964-; Kurtz, Henry A. & Zhou, Tie
Object Type: Article
System: The UNT Digital Library
The positions of λₘₐₓ for some trimethylsilyl-substituted silylenes (open access)

The positions of λₘₐₓ for some trimethylsilyl-substituted silylenes

This article describes how low-temperature photolysis of tris(trimethylsilyl)silane derivatives in a 3-methylpentane glass at 77 K yields hexamethyldisilane and trimethylsilyl-substituted silylenes.
Date: April 17, 1995
Creator: Bott, S. G.; Marshall, Paul; Wagenseller, P. E.; Wang, Y. & Conlin, R. T.
Object Type: Article
System: The UNT Digital Library
Comments on the paper entitled "Determination of the equilibrium constant for complex formation in a binary mixture of chloroform and triethylamine from viscosity data on the basis of the ideal associated solution model" (open access)

Comments on the paper entitled "Determination of the equilibrium constant for complex formation in a binary mixture of chloroform and triethylamine from viscosity data on the basis of the ideal associated solution model"

Article commenting on the paper entitled "Determination of the equilibrium constant for complex formation in a binary mixture of chloroform and triethylamine from viscosity data on the basis of the idea associated solution model"
Date: April 2000
Creator: Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Correlation and Prediction of Partition Coefficients from the Gas Phase and from Water to Alkan-1-ols (open access)

Correlation and Prediction of Partition Coefficients from the Gas Phase and from Water to Alkan-1-ols

Article discussing correlation and prediction of partition coefficients from the gas phase and from water to alkan-1-ols.
Date: April 22, 2008
Creator: Abraham, M. H. (Michael H.); Nasezadeh, Asadollah & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Oxidation of Reduced Sulfur Species: Carbonyl Sulfide (open access)

Oxidation of Reduced Sulfur Species: Carbonyl Sulfide

Article on the oxidation of reduced sulfur species and carbonyl sulfide.
Date: April 25, 2013
Creator: Glarborg, Peter & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Facile Photochemical Syntheses of Conjoined Nanotwin Gold-Silver Particles within a Biologically-Benign Chitosan Polymer (open access)

Facile Photochemical Syntheses of Conjoined Nanotwin Gold-Silver Particles within a Biologically-Benign Chitosan Polymer

This article developed a simple photochemical method for making conjoined bi-metallic gold-silver (Au/Ag) nanotwins, a new breed of nanoparticles.
Date: March 6, 2019
Creator: Korir, Daniel K.; Gwalani, Bharat; Joseph, Abel; Kamras, Brian; Arvapally, Ravi K.; Omary, Mohammad A. et al.
Object Type: Article
System: The UNT Digital Library

The Synergy Between Qualitative Theory, Quantitative Calculations, and Direct Experiments in Understanding, Calculating, and Measuring the Energy Differences Between the Lowest Singlet and Triplet States of Organic Diradicals

Article discussing the synergy between qualitative theory, quantitative calculations, and direct experiments in understanding, calculating, and measuring the energy differences between the lowest singlet and triplet states of organic diradicals.
Date: April 18, 2012
Creator: Lineberger, W. Carl & Borden, Weston T.
Object Type: Article
System: The UNT Digital Library
Solubility of Anthracene in Binary Alkane + 2-Ethyl-1-hexanol and Alkane + 1-Pentanol Solvent Mixtures at 298.2 K (open access)

Solubility of Anthracene in Binary Alkane + 2-Ethyl-1-hexanol and Alkane + 1-Pentanol Solvent Mixtures at 298.2 K

Article on the solubility of anthracene in binary alkane + 2-ethyl-1-hexanol and alkane + 1-pentanol solvent mixtures at 298.2 K.
Date: April 23, 1998
Creator: Roy, Lindsay Elizabeth; Hernández, Carmen E.; Reddy, Gaddum D.; Sanders, Jessica T.; Deng, Taihe; Tuggle, Michael B. et al.
Object Type: Article
System: The UNT Digital Library
Stability Studies of Transition-Metal Linkage Isomers Using Quantum Mechanical Methods, Groups 11 and 12 Transition Metals (open access)

Stability Studies of Transition-Metal Linkage Isomers Using Quantum Mechanical Methods, Groups 11 and 12 Transition Metals

Article discussing the stability studies of transition-metal linkage isomers using quantum mechanical methods and groups 11 and 12 transition metals.
Date: April 29, 2005
Creator: Buda, Corneliu; Kazi, Abul B.; Dinescu, Adriana & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Characterization of Room-Temperature Ionic Liquids by the Abraham Model with Cation-Specific and Anion-Specific Equation Coefficients (open access)

Characterization of Room-Temperature Ionic Liquids by the Abraham Model with Cation-Specific and Anion-Specific Equation Coefficients

Article on the characterization of room-temperature ionic liquids by the Abraham model with cation-specific and anion-specific equation coefficients.
Date: April 26, 2007
Creator: Sprunger, Laura M.; Clark, Michael; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type: Article
System: The UNT Digital Library
Excess Molar Volumes of Binary Mixtures of Cyclohexane and y-Butyrolactone with Aromatic Hydrocarbons (open access)

Excess Molar Volumes of Binary Mixtures of Cyclohexane and y-Butyrolactone with Aromatic Hydrocarbons

This article discusses excess molar volumes of binary mixtures of cyclohexane and y-butyrolactone with aromatic hydrocarbons.
Date: April 1985
Creator: Acree, William E. (William Eugene); Gholami, Kheirollah; McHan, Danny R. & Rytting, J. Howard
Object Type: Article
System: The UNT Digital Library
Isentropic Compressibility of an Ideal Ternary Solution (open access)

Isentropic Compressibility of an Ideal Ternary Solution

Article on isentropic compressibility of an ideal ternary solution.
Date: April 1, 1983
Creator: Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Experimental and Computational Studies of the Kinetics of the Reaction of Atomic Hydrogen with Methanethiol (open access)

Experimental and Computational Studies of the Kinetics of the Reaction of Atomic Hydrogen with Methanethiol

Article on experimental and computational studies of the kinetics of the reaction of atomic hydrogen with methanethiol.
Date: April 14, 2015
Creator: Kerr, Katherine E.; Alecu, I. M.; Thompson, Kristopher; Gao, Yide & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Intertrimer and Intratrimer Metallophilic and Excimeric Bonding in the Ground and Phosphorescent States of Trinuclear Coinage Metal Pyrazolates: A Computational Study (open access)

Intertrimer and Intratrimer Metallophilic and Excimeric Bonding in the Ground and Phosphorescent States of Trinuclear Coinage Metal Pyrazolates: A Computational Study

This article discusses intertrimer and intratrimer metallophilic and excimeric bonding.
Date: April 8, 2006
Creator: Grimes, Thomas V.; Omary, Mohammad A.; Dias, H. V. Rasika & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Investigation of Structural and Optical Properties of Ag Nanoclusters Formed in Si(100) After Multiple Implantations of Low Energies Ag Ions and Post-Thermal Annealing at a Temperature Below the Ag-Si Eutectic Point (open access)

Investigation of Structural and Optical Properties of Ag Nanoclusters Formed in Si(100) After Multiple Implantations of Low Energies Ag Ions and Post-Thermal Annealing at a Temperature Below the Ag-Si Eutectic Point

This paper investigates the synthesis of Ag NCs in Si(100) substrate by implanting multiple energies and fluences of Ag ions and subsequent thermal annealing.
Date: April 2, 2014
Creator: Dhoubhadel, Mangal; Rout, Bibhudutta; Lakshantha, Wickramaarachchige J.; Das, Sushanta K.; D'Souza, Francis; Glass, Gary A. et al.
Object Type: Paper
System: The UNT Digital Library
Polarization in electrostatics and circuits: Computing and visualizing surface charge distributions (open access)

Polarization in electrostatics and circuits: Computing and visualizing surface charge distributions

Article describing an algorithm or computing the detailed surface charge distributions in equilibrium electrostatic situations and in steady-state DC circuits, and discuss the results of the computations of surface charge distributions for several systems.
Date: December 14, 2018
Creator: Chabay, Ruth & Sherwood, Bruce
Object Type: Article
System: The UNT Digital Library
Py and BPe Solvent Polarity Scales: Effect of Temperature on Pyrene and Benzo[ghi]perylene Fluorescence Spectra (open access)

Py and BPe Solvent Polarity Scales: Effect of Temperature on Pyrene and Benzo[ghi]perylene Fluorescence Spectra

Article discussing Py and BPe solvent polarity scales and the effect of temperature on pyrene and benzo[ghi]perylene fluorescence spectra.
Date: April 21, 1988
Creator: Waris, Riaz; Acree, William E. (William Eugene) & Street, Kenneth W.
Object Type: Article
System: The UNT Digital Library
Spectroscopic Properties of Polycyclic Aromatic Compounds. Part 4: Effect of Solvent Polarity and Nitromethane on the Fluorescence Emission Behavior of Select Bipolycyclic Aromatic Hydrocarbons (open access)

Spectroscopic Properties of Polycyclic Aromatic Compounds. Part 4: Effect of Solvent Polarity and Nitromethane on the Fluorescence Emission Behavior of Select Bipolycyclic Aromatic Hydrocarbons

Article on spectroscopic properties of polycyclic aromatic compounds and the effect of solvent polarity and nitromethane on the fluorescence emission behavior of select bipolycyclic aromatic hydrocarbons.
Date: April 1, 1994
Creator: Tucker, Sheryl A. (Sheryl Ann); Griffin, Jason M.; Acree, William E. (William Eugene); Zander, Maximilian & Mitchell, Reginald H.
Object Type: Article
System: The UNT Digital Library
Solubility Prediction of Paracetamol in Water-Ethanol-Propylene Glycol Mixtures at 25 and 30°C Using Practical Approaches (open access)

Solubility Prediction of Paracetamol in Water-Ethanol-Propylene Glycol Mixtures at 25 and 30°C Using Practical Approaches

Article on the solubility prediction of paracetamol in water-ethanol-propylene glycol mixtures at 25 and 30° C using practical approaches.
Date: April 1, 2008
Creator: Jouyban, Abolghasem; Azarmir, Olduz; Mirzaei, Shahla; Hassanzadeh, Davoud; Ghafourian, Taravat; Acree, William E. (William Eugene) et al.
Object Type: Article
System: The UNT Digital Library
Solubility Prediction of Paracetamol in Binary and Ternary Solvent Mixtures Using Jouyban-Acree Model (open access)

Solubility Prediction of Paracetamol in Binary and Ternary Solvent Mixtures Using Jouyban-Acree Model

Article discussing the solubility prediction of paracetamol in binary and ternary solvent mixtures using Jouyban-Acree model.
Date: April 1, 2006
Creator: Jouyban, Abolghasem; Chan, Hak-Kim; Chew, Nora Yat Knork; Khoubnasabjafari, Maryam & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Cooperative Effects in the Annelation of Benzene by Multiple Etheno Groups (open access)

Cooperative Effects in the Annelation of Benzene by Multiple Etheno Groups

Article on cooperative effects in the annelation of benzene by multiple etheno groups.
Date: April 20, 2011
Creator: Bao, Xiaoguang; Hrovat, David A. & Borden, Weston T.
Object Type: Article
System: The UNT Digital Library
Crystal structure of bis­(aceto­nitrile-κN)(4,4′-di-tert-butyl-2,2′-bi­pyridine-κ2N,N′)platinum(II) bis­(tetra­fluorido­borate) packing as head-to-head dimers (open access)

Crystal structure of bis­(aceto­nitrile-κN)(4,4′-di-tert-butyl-2,2′-bi­pyridine-κ2N,N′)platinum(II) bis­(tetra­fluorido­borate) packing as head-to-head dimers

Article discusses the crystal structure of a platinum(II) supra­molecular building block, [Pt(dbbpy)(NCCH3)2](BF4)2 (dbbpy = 4,4′-di-tert-butyl-2,2′-bi­pyridine, C18H24N2).
Date: April 24, 2018
Creator: Joseph, Chris; Nesterov, Vladimir N. & Smucker, Bradley W.
Object Type: Article
System: The UNT Digital Library