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A Method for Analyzing Exponential Decays
This article presents the non-linear least-squares routine KPS1 for the analysis of data from counting experiments which follow single exponential decays.
Date:
October 23, 1986
Creator:
Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Importance of the Hydrogen Isocyanide Isomer in Modeling Hydrogen Cyanide Oxidation in Combustion
This article re-examines the chemistry of hydrogen isocyanide (HNC) and its role in combustion nitrogen chemistry.
Date:
October 5, 2016
Creator:
Glarborg, Peter & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Multireference Character for 4D Transition Metal-Containing Molecules
This article proposes new criteria, namely T₁ ≥ 0.045, D₁ ≥ 0.120, and %TAE ≥ 10%, as a gauge for 4d transition metal-containing molecules to predic the possible need to employ multireference (MR) wave function-based methods to describe energetic and spectroscopic properties.
Date:
October 14, 2015
Creator:
Wang, Jiaqi; Manivasagam, Sivabalan & Wilson, Angela K.
Object Type:
Article
System:
The UNT Digital Library
Using Water-Solvent Systems To Estimate In Vivo Blood-Tissue Partition Coefficients
This article discusses water-solvent systems for estimating in vivo blood-tissue partition coefficients.
Date:
October 16, 2015
Creator:
Acree, William E. (William Eugene); Derricott, Caitlin E.; Knight, Emily A. & Lang, Andrew S. I. D.
Object Type:
Article
System:
The UNT Digital Library
Correlation and prediction of partition coefficients between the gas phase and water, and the solvents dodecane and undecane
Article on the correlation and prediction of partition coefficients between the gas phase and water, and the solvents dodecane and undecane.
Date:
October 29, 2004
Creator:
Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
An experimental and computational study of the reaction of ground-state sulfur atoms with carbon disulfide
Article on an experimental and computational study of the reaction of ground-state sulfur atoms with carbon disulfide.
Date:
October 12, 2011
Creator:
Gao, Yide & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Potential Energy Surfaces for the Reaction of O Atoms with CH3I: Implications for Thermochemistry and Kinetics
Article on the potential energy surfaces for the reaction of O atoms with CH3I and implications for thermochemistry and kinetics.
Date:
October 2, 1997
Creator:
Misra, Ashutosh; Berry, Rajiv & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Computational Investigations of Iodine Oxides
Article on a computational investigations of iodine oxides.
Date:
October 16, 1998
Creator:
Misra, Ashutosh & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
An ab initio study of the reaction of atomic hydrogen with sulfur dioxide
Article on an ab initio study of the reaction of atomic hydrogen with sulfur dioxide.
Date:
October 1, 1991
Creator:
Binns, Derk Douglas & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
A Student-Designed Potentiometric Titration: Quantitative Determination of Iron(II) by Caro's Acid Titration
Article on a student-designed potentiometric titration and a quantitative determination of iron(II) by Caro's acid titration.
Date:
October 1, 1996
Creator:
Powell, Joyce R.; Tucker, Sheryl A. (Sheryl Ann); Acree, William E. (William Eugene); Sees, Jennifer A. & Hall, Lindsey H.
Object Type:
Article
System:
The UNT Digital Library
Octanol-Water Partition Coefficients of Substituted α,N-Diphenylnitrones and Benzonitrile N-Oxides
Article on octanol-water partition coefficients of substituted alpha and N-diphenylnitrones and benzonitrile N-oxides.
Date:
October 1, 1985
Creator:
Kirchner, James J.; Acree, William E. (William Eugene); Leo, Albert J. & Gelli, Gioanna
Object Type:
Article
System:
The UNT Digital Library
Mechanism and modeling of the formation of gaseous alkali sulfates
Article on the mechanism and modeling of the formation of gaseous alkali sulfates.
Date:
October 13, 2004
Creator:
Glarborg, Peter & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
An NMR Method for Quantitative Assessment of Intramolecular Hydrogen Bonding; Application to Physiochemical, Environmental, and Biochemical Properties
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.
Object Type:
Article
System:
The UNT Digital Library
A Novel Methodology to Mimic Biological Properties using Ionic Liquids: An Extensive in silico Study
Paper discussing an extensive in silico study and a novel methodology to mimic biological properties using ionic liquids.
Date:
October 2014
Creator:
Mehta, Sumedha; Kuprasertkul, Nina & Wadawadigi, Akash
Object Type:
Paper
System:
The UNT Digital Library
Solubility of Anthracene in Ternary Propanol + Butanol + 2,2,4-Trimethylpentane Solvent Mixtures
Article on the solubility of anthracene in ternary propanol + butanol + 2,2,4-trimethylpentane solvent mixtures.
Date:
October 28, 1998
Creator:
Deng, Taihe; Childress, Sabrina D.; De Fina, Karina M.; Sharp, Tina L. & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Novel Metal Hydroxide Derivatives Containing Chemically Bound Organophosphorus or Polyphosphate Species as Flame Retardants
Patent relating to novel metal hydroxide derivatives containing chemically bound organophosphorus or polyphosphate species as flame retardants.
Date:
March 29, 2006
Creator:
Braterman, Paul S.; D'Souza, Nandika & Dharia, Amit
Object Type:
Patent
System:
The UNT Digital Library
A General Treatment of Solubility. 1. The QSPR Correlation of Solvation Free Energies of Single Solutes in Series of Solvents
Article on a general treatment of solubility and the quantitative structure-property relationship (QSPR) correlation of solvation free energies of single solutes in series of solvents.
Date:
October 2, 2003
Creator:
Katritzky, Alan R.; Oliferenko, Alexander A.; Oliferenko, Polina V.; Petrukhin, Ruslan; Tatham, Douglas B.; Maran, Uko, 1966- et al.
Object Type:
Article
System:
The UNT Digital Library
A General Treatment of Solubility. 2. QSPR Prediction of Free Energies of Solvation of Specified Solutes in Ranges of Solvents
Article on a general treatment of solubility and quantitative structure-property relationship (QSPR) prediction of free energies of solvation of specified solutes in ranges of solvents.
Date:
October 1, 2003
Creator:
Katritzky, Alan R.; Oliferenko, Alexander A.; Oliferenko, Polina V.; Petrukhin, Ruslan; Tatham, Douglas B.; Maran, Uko, 1966- et al.
Object Type:
Article
System:
The UNT Digital Library
Surface Tension Calculation of Mixed Solvents with Respect to Solvent Composition and Temperature by Using Jouyban-Acree Model
Article on the surface tension calculation of mixed solvents with respect to solvent composition and temperature by using Jouyban-Acree model.
Date:
October 1, 2004
Creator:
Jouyban, Abolghasem; Fathi-Azarbayjani, Anahita & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach
Article on dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach.
Date:
August 5, 2013
Creator:
Calzolari, Arrigo & Buongiorno Nardelli, Marco
Object Type:
Article
System:
The UNT Digital Library
Solubility of Anthracene in Ternary Propanol + Butanol + Cyclohexane Solvent Mixtures
Article on the solubility of anthracene in ternary propanol + butanol + cyclohexane solvent mixtures.
Date:
October 2, 1998
Creator:
Deng, Taihe & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Solubility of Anthracene in Ternary Propanol + 2,2,4-Trimethylpentane + Cyclohexane and Butanol + 2,2,4-Trimethylpentane + Cyclohexane Solvent Mixtures
Article on the solubility of anthracene in ternary propanol + 2,2,4-trimethylpentane + cyclohexane and butanol + 2,2,4-trimethylpentane + cyclohexane solvent mixtures.
Date:
October 2, 1998
Creator:
Deng, Taihe & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Solubility of Anthracene in Binary Alkane + 3-Methyl-1-butanol Solvent Mixtures
Article on the solubility of anthracene in binary alkane + 3-methyl-1-butanol solvent mixtures.
Date:
October 1994
Creator:
Zvaigzne, Anita I. & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Spectrochemical Investigations of Preferential Solvation. Fluorescence Emission Behavior of Select Polycyclic Aromatic Hydrocarbon Solute Probes Dissolved in Mixed Solvents
Article discussing spectrochemical investigations of preferential solvation and fluorescence emission behavior of select polycyclic aromatic hydrocarbon solute probes dissolved in mixed solvents.
Date:
October 1993
Creator:
Acree, William E. (William Eugene); Tucker, Sheryl A. (Sheryl Ann) & Wilkins, Denise C.
Object Type:
Article
System:
The UNT Digital Library