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  Partner: UNT College of Arts and Sciences
 Department: Chemistry
 Decade: 2010-2019
Comments Concerning "Study of Molecular Interaction in Binary Liquid Mixtures of Ethyl Acetoacetate with Chloroform and Dimethylsulphoxide using Excess Acoustic Parameters and Spectroscopic Methods

Comments Concerning "Study of Molecular Interaction in Binary Liquid Mixtures of Ethyl Acetoacetate with Chloroform and Dimethylsulphoxide using Excess Acoustic Parameters and Spectroscopic Methods

Date: February 18, 2014
Creator: Acree, William E. (William Eugene) & Stephens, Timothy W.
Description: Article commenting on a previously published article, "Study of molecular interaction in binary liquid mixtures of ethyl acetoacetate with chloroform and dimethylsulphoxide using excess acoustic parameters and spectroscopic methods."
Contributing Partner: UNT College of Arts and Sciences
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"

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"

Date: March 7, 2014
Creator: Acree, William E. (William Eugene)
Description: 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.
Contributing Partner: UNT College of Arts and Sciences
Comments Regarding "Density, Speed of Sound, Refractive Index and Derivatives Properties of the Binary Mixture N-Hexane + N-Heptane (or N-Octane or N-Nonane), T = 288.15 - 313.15 K"

Comments Regarding "Density, Speed of Sound, Refractive Index and Derivatives Properties of the Binary Mixture N-Hexane + N-Heptane (or N-Octane or N-Nonane), T = 288.15 - 313.15 K"

Date: April 9, 2013
Creator: Acree, William E. (William Eugene) & Stephens, Timothy W.
Description: This article offers comment on "Density, speed of sound, refractive index and derivatives properties of the binary mixture N-Hexane + N-Heptane (or N-Octane or N-Nonane), T=288.15 - 313.15 K."
Contributing Partner: UNT College of Arts and Sciences
Comments Regarding "Study of Molecular Interactions in Binary Mixtures of Formamide with 2-Methoxyethanol and 2-Ethoxyethanol at Varying Temperatures"

Comments Regarding "Study of Molecular Interactions in Binary Mixtures of Formamide with 2-Methoxyethanol and 2-Ethoxyethanol at Varying Temperatures"

Date: June 3, 2013
Creator: Acree, William E. (William Eugene)
Description: This article provides comments on "Study of Molecular Interactions in Binary Mixtures of Formamide with 2-Methoxyethanol and 2-Ethoxyethanol at Varying Temperatures," published in 'Physics and Chemistry of Liquids,' 2013.
Contributing Partner: UNT College of Arts and Sciences
Complex Materials for Molecular Spintronics Applications: Cobalt Bis(dioxolene) Valence Tautomers, from Molecules to Polymers

Complex Materials for Molecular Spintronics Applications: Cobalt Bis(dioxolene) Valence Tautomers, from Molecules to Polymers

Date: October 16, 2012
Creator: Calzolari, Arrigo; Chen, Yifeng; Lewis, Geoffrey F.; Dougherty, Daniel B.; Shultz, David A. & Buongiorno Nardelli, Marco
Description: This article discusses complex materials for molecular spintronics applications.
Contributing Partner: UNT College of Arts and Sciences
Composition of Epoxy Resin, Aliphatic Amine Curing Agent and Halogenated Amine

Composition of Epoxy Resin, Aliphatic Amine Curing Agent and Halogenated Amine

Date: March 10, 2009
Creator: Bilyeu, Bryan; Brostow, Witold, 1934- & Menard, Kevin P.
Description: Patent relating to the composition of epoxy resin, aliphatic amine curing agent and halogenated amine.
Contributing Partner: UNT College of Arts and Sciences
Computational Study of the Thermochemistry of N₂O₅ and the Kinetics of the Reaction N₂O₅ + H₂O → 2 HNO₃

Computational Study of the Thermochemistry of N₂O₅ and the Kinetics of the Reaction N₂O₅ + H₂O → 2 HNO₃

Date: September 14, 2014
Creator: Alecu, I. M. & Marshall, Paul
Description: Article on a computational study of the thermochemistry of N₂O₅ and the Kinetics of the Reaction N₂O₅ + H₂O → 2 HNO₃.
Contributing Partner: UNT College of Arts and Sciences
Controlled Depositions of Metal and Metal Cluster Ions by Surface Field Patterning in Soft-Landing Devices

Controlled Depositions of Metal and Metal Cluster Ions by Surface Field Patterning in Soft-Landing Devices

Date: April 19, 2011
Creator: Verbeck, Guido F. & Davila, Stephen
Description: Patent relating to controlled deposition of metal and metal cluster ions by surface field patterning in soft-landing devices.
Contributing Partner: UNT College of Arts and Sciences
Cooperative Carbon Capture Capabilities in Multivariate MOFs Decorated with Amino Acid Side Chains: A Computational Study

Cooperative Carbon Capture Capabilities in Multivariate MOFs Decorated with Amino Acid Side Chains: A Computational Study

Date: June 5, 2013
Creator: Drummond, Michael L.; Cundari, Thomas R., 1964- & Wilson, Angela K.
Description: This article discusses cooperative carbon capture capabilities in metal organic frameworks decorated with amino acid side chains.
Contributing Partner: UNT College of Arts and Sciences
Cooperative Effects in the Annelation of Benzene by Multiple Etheno Groups

Cooperative Effects in the Annelation of Benzene by Multiple Etheno Groups

Date: April 20, 2011
Creator: Bao, Xiaoguang; Hrovat, David A. & Borden, Weston T., 1943-
Description: Article on cooperative effects in the annelation of benzene by multiple etheno groups.
Contributing Partner: UNT College of Arts and Sciences
Cooperativity Between Low-Valent Iron and Potassium Promoters in Dinitrogen Fixation

Cooperativity Between Low-Valent Iron and Potassium Promoters in Dinitrogen Fixation

Date: June 26, 2012
Creator: Figg, Travis M.; Holland, Patrick L. & Cundari, Thomas R., 1964-
Description: Article discussing the cooperativity between low-valent iron and potassium promoters in dinitrogen fixation.
Contributing Partner: UNT College of Arts and Sciences
Coordination Chemistry of 4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2,2,1]heptane: Preparation and Characterization of Ru(II) Complexes

Coordination Chemistry of 4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2,2,1]heptane: Preparation and Characterization of Ru(II) Complexes

Date: March 27, 2012
Creator: Joslin, Evan E.; McMullin, Claire L.; Gunnoe, T. Brent; Cundari, Thomas R., 1964-; Sabat, Michal & Myers, William H.
Description: Article discussing preparation and characterization of Ru(II) complexes.
Contributing Partner: UNT College of Arts and Sciences
Correlation of solute partitioning into isooctane from water and from the gas phase based on updated Abraham equations

Correlation of solute partitioning into isooctane from water and from the gas phase based on updated Abraham equations

Date: 2012
Creator: Stephens, Timothy W.; Wilson, Anastasia; Dabadge, Nishu; Tian, Amy; Zimmerman, Malcolm; Hensley, Hali J. et al.
Description: This article discusses the correlation of solute partitioning into isooctane from water and from the gas phase based on updated Abraham equations.
Contributing Partner: UNT College of Arts and Sciences
Correlation of solute transfer into alkane solvents from water and from the gas phase with updated Abraham model equations

Correlation of solute transfer into alkane solvents from water and from the gas phase with updated Abraham model equations

Date: 2012
Creator: Stephens, Timothy W.; Quay, Amanda N.; Chou, Vicky; Loera, Matthew; Shen, Connie; Wilson, Anastasia et al.
Description: This article discusses the correlation of solute transfer into alkane solvents from water and from the gas phase with updated Abraham model equations.
Contributing Partner: UNT College of Arts and Sciences
Correlation of Solute Transfer Into Toluene and Ethylbenzene from Water and from the Gas Phase Based on the Abraham Model

Correlation of Solute Transfer Into Toluene and Ethylbenzene from Water and from the Gas Phase Based on the Abraham Model

Date: 2011
Creator: Stephens, Timothy W.; Loera, Matthew; Quay, Amanda N.; Chou, Vicky; Shen, Connie; Wilson, Anastasia et al.
Description: This article discusses correlation of solute transfer into toluene and ethylbenzene from water and from the gas phase based on the Abraham model.
Contributing Partner: UNT College of Arts and Sciences
Correlation of the Solubilizing Abilities of 1-Butyl-1-methyl-pyrrolidinium Tris(pentafluoroethyl)-trifluorophosphate, 1-Butyl-1-methylpyrrolidinium Triflate and 1-Methoxyethyl-1-methylmorpholinium Tris(pentafluoroethyl) trifluorophosphate

Correlation of the Solubilizing Abilities of 1-Butyl-1-methyl-pyrrolidinium Tris(pentafluoroethyl)-trifluorophosphate, 1-Butyl-1-methylpyrrolidinium Triflate and 1-Methoxyethyl-1-methylmorpholinium Tris(pentafluoroethyl) trifluorophosphate

Date: May 2013
Creator: Twu, Pamela; Anderson, Jared L.; Stephens, Timothy W.; Wilson, Anastasia; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Description: This article discusses the correlation of the solubilizing abilities.
Contributing Partner: UNT College of Arts and Sciences
Correlations of solute partitioning and enthalpies of solvation for organic solutes in ionic liquids using a temperature independent free energy relationship

Correlations of solute partitioning and enthalpies of solvation for organic solutes in ionic liquids using a temperature independent free energy relationship

Date: 2013
Creator: Stephens, Timothy W.; Willis, Bria; Dabadge, Nishu; Tian, Amy; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Description: This article discusses correlations of solute partitioning and enthalpies of solvation for organic solutes in ionic liquids using a temperature independent free energy relationship.
Contributing Partner: UNT College of Arts and Sciences
Crystal structure of (3E,5E)-3,5-bis[4-(diethylazaniumyl)benzylidene]-1-methyl-4-oxopiperidin-1-ium trichloride dihydrate: a potential biophotonic material

Crystal structure of (3E,5E)-3,5-bis[4-(diethylazaniumyl)benzylidene]-1-methyl-4-oxopiperidin-1-ium trichloride dihydrate: a potential biophotonic material

Date: November 4, 2015
Creator: Nesterov, Volodymyr V.; Zakharov, Lev N.; Nesterov, Vladimir N. & Shulaev, Vladimir
Description: This article describes the crystal structure of the title compound, and examines application as an agent for locating cancer cells with two-photon excited fluorescence as as a potential agent for a photodynamic treatment of cancer. This article includes supporting information with computing details of the study.
Contributing Partner: UNT College of Arts and Sciences
Current Applications of Computational Chemistry in JACS - Molecules, Mechanisms, and Materials

Current Applications of Computational Chemistry in JACS - Molecules, Mechanisms, and Materials

Date: September 21, 2011
Creator: Borden, Weston T., 1943-
Description: Article discussing molecules, mechanisms, and materials and current applications of computational chemistry in the Journal of the American Chemical Society (JACS).
Contributing Partner: UNT College of Arts and Sciences
Cyclooctatetraenes Tetrakis-Annelated with α-Dithio- or α-Diselenocarbonyl Groups: Diradicals Predicted To Have Ground States with 10 π Electrons in the Eight-Membered Ring and Two-Center, Three-Electron, σ Bonds between Two Pairs of Chalcogen Atoms

Cyclooctatetraenes Tetrakis-Annelated with α-Dithio- or α-Diselenocarbonyl Groups: Diradicals Predicted To Have Ground States with 10 π Electrons in the Eight-Membered Ring and Two-Center, Three-Electron, σ Bonds between Two Pairs of Chalcogen Atoms

Date: February 12, 2010
Creator: Zhou, Xin; Hrovat, David A. & Borden, Weston T., 1943-
Description: Article on cyclooctatetraenes tetrakis-annelated with α-dithio- or α-diselenocarbonyl groups.
Contributing Partner: UNT College of Arts and Sciences
[Dataset Supplemental Material and References]

[Dataset Supplemental Material and References]

Date: July 11, 2014
Creator: Kuprasertkul, Nina; Mehta, Sumedha & Wadawadigi, Akash
Description: Supplemental materials and references accompanying a series of chemistry datasets.
Contributing Partner: UNT College of Arts and Sciences
Deduction of physiochemical properties from solubilities: 2,4-dihydroxybenzophenone, biotin, and caprolactam as examples

Deduction of physiochemical properties from solubilities: 2,4-dihydroxybenzophenone, biotin, and caprolactam as examples

Date: April 15, 2015
Creator: Abraham, M. H. (Michael H.); Acree, William E. (William Eugene); Brumfield, Michela; Hart, Erin; Pipersburgh, Lila; Mateja, Katherine et al.
Description: Article discussing the deduction of physiochemical properties from solubilities and 2,4-dihydroxybenzophenone, biotin, and caprolactam as examples.
Contributing Partner: UNT College of Arts and Sciences
Determination of Abraham model solute descriptors for the monomeric and dimeric forms of trans-cinnamic acid using measured solubilities from the Open Notebook Science Challenge

Determination of Abraham model solute descriptors for the monomeric and dimeric forms of trans-cinnamic acid using measured solubilities from the Open Notebook Science Challenge

Date: September 25, 2014
Creator: Bradley, Jean-Claude; Abraham, M. H. (Michael H.); Acree, William E. (William Eugene); Lang, Andrew S. I. D.; Beck, Samantha N.; Bulger, David A. et al.
Description: Article on the determination of Abraham model solute descriptors for the monomeric and dimeric forms of trans-cinnamic acid using measured solubilities from the Open Notebook Science Challenge.
Contributing Partner: UNT College of Arts and Sciences
Determination of solvation descriptors for terpene hydrocarbons from chromatographic measurements

Determination of solvation descriptors for terpene hydrocarbons from chromatographic measurements

Date: February 2013
Creator: Abraham, M. H. (Michael H.); Gola, Joelle R. M.; Gil-Lostes, Javier; Acree, William E. (William Eugene) & Cometto-Muñiz, J. Enrique
Description: This article discusses the determination of solvation descriptors for terpene hydrocarbons from chromatographic measurements.
Contributing Partner: UNT College of Arts and Sciences