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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

Ab Initio Calculations and Kinetic Modeling of Thermal Conversion of Methyl Chloride: Implications for Gasification of Biomass

This article investigates the thermal conversion of CH₃Cl.
Date: November 8, 2017
Creator: Singla, Mellika; Rasmussen, Morten Lund; Hashemi, Hamid; Wu, Hao; Glarborg, Peter; Pelucchi, Matteo et al.
Object Type: Article
System: The UNT Digital Library
Ab Initio Calculations for Kinetic Modeling of Halocarbons (open access)

Ab Initio Calculations for Kinetic Modeling of Halocarbons

This book chapter discusses ab initio calculations for kinetic modeling of halocarbons.
Date: 1998
Creator: Berry, Rajiv; Schwartz, Martin & Marshall, Paul
Object Type: Book Chapter
System: The UNT Digital Library
An ab Initio Investigation of Halocarbenes (open access)

An ab Initio Investigation of Halocarbenes

Article on an ab initio investigation of halocarbenes.
Date: September 10, 1999
Creator: Schwartz, Martin & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
ab initio Solubility Prediction of Non-Electrolytes in Ternary Solvents Using a Combination of Jouyban-Acree and Abraham Models (open access)

ab initio Solubility Prediction of Non-Electrolytes in Ternary Solvents Using a Combination of Jouyban-Acree and Abraham Models

Article on the ab initio solubility prediction of non-electrolytes in ternary solvents using a combination of Jouyban-Acree and Abraham models.
Date: May 1, 2008
Creator: Jouyban, Abolghasem; Khoubnasabjafari, Maryam; Hamidi, Ali A. & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Ab Initio Studies of Polarization and Piezoelectricity in Vinylidene Fluoride and BN-Based Polymers (open access)

Ab Initio Studies of Polarization and Piezoelectricity in Vinylidene Fluoride and BN-Based Polymers

Article on ab initio studies of polarization and piezoelectricity in vinylidene fluoride and BN-based polymers.
Date: 2004
Creator: Nakhmanson, Serge M.; Buongiorno Nardelli, Marco & Bernholc, Jerry
Object Type: Article
System: The UNT Digital Library
An ab Initio Study of Sulfinic Acid and Related Species (open access)

An ab Initio Study of Sulfinic Acid and Related Species

Article on an ab initio study of sulfinic acid and related species.
Date: March 1, 1992
Creator: Laakso, Dianna & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
An ab initio study of the ionization of sodium superoxide (open access)

An ab initio study of the ionization of sodium superoxide

Article on an ab initio study of the ionization of sodium superoxide.
Date: November 15, 1991
Creator: Marshall, Paul
Object Type: Article
System: The UNT Digital Library
An ab initio study of the reaction of atomic hydrogen with sulfur dioxide (open access)

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
Ab initio transport properties of nanostructures from maximally localized Wannier functions (open access)

Ab initio transport properties of nanostructures from maximally localized Wannier functions

Article on ab initio transport properties of nanostructures from maximally localized Wannier functions.
Date: January 22, 2004
Creator: Calzolari, Arrigo; Marzari, Nicola; Souza, Ivo & Buongiorno Nardelli, Marco
Object Type: Article
System: The UNT Digital Library
ABA Is Required for Plant Acclimation to a Combination of Salt and Heat Stress (open access)

ABA Is Required for Plant Acclimation to a Combination of Salt and Heat Stress

This article highlights the important role abscisic acid plays in the acclimation of plants to a combination of two different abiotic stresses.
Date: January 29, 2016
Creator: Suzuki, Nobuhiro; Bassil, Elias; Hamilton, Jason S.; Inupakutika, Madhuri A.; Zandalinas, Sara I.; Tripathy, Deesha et al.
Object Type: Article
System: The UNT Digital Library
ABA is required for the accumulation of APX1 and MBF1c during a combination of water deficit and heat stress (open access)

ABA is required for the accumulation of APX1 and MBF1c during a combination of water deficit and heat stress

This article studies the response of mutants impaired in ABA signalling (abi1-1) and biosynthesis (aba1-1) to a combination of water deficit and heat stress.
Date: July 18, 2016
Creator: Zandalinas, Sara I.; Balfagón, Damián; Arbona, Vicent; Gómez-Cadenas, Aurelio; Inupakutika, Madhuri A. & Mittler, Ron
Object Type: Article
System: The UNT Digital Library
Aberrant Salience Inventory: A meta-analysis to investigate its psychometric properties and identify screening cutoff scores (open access)

Aberrant Salience Inventory: A meta-analysis to investigate its psychometric properties and identify screening cutoff scores

Article describes how the Aberrant Salience Inventory (ASI) is a useful tool to measure salience abnormalities among the general population. The authors claim that there is strong clinical and scientific evidence that salience alteration is linked to psychosis.
Date: May 26, 2023
Creator: Merola, Giuseppe Pierpaolo; Boy, Ottone Baccaredda; Fascina, Isotta; Pecoraro, Vincenzo; Falone, Andrea; Patti, Andrea et al.
Object Type: Article
System: The UNT Digital Library
Aberturas del dosel y espectro de la luz en el sotobosque de una selva nublada andina de Venezuela (open access)

Aberturas del dosel y espectro de la luz en el sotobosque de una selva nublada andina de Venezuela

Article on canopy gaps and understory light spectrum in a Venezuelan Andean cloud forest.
Date: January 2001
Creator: Acevedo, Miguel F.; Monteleone, Susan; Ataroff, Michele & Estrada, Carlos A.
Object Type: Article
System: The UNT Digital Library
Abraham Model Correlations for Describing Solute Transfer into 2-Butoxyethanol from Both Water and the Gas Phase at 298 K (open access)

Abraham Model Correlations for Describing Solute Transfer into 2-Butoxyethanol from Both Water and the Gas Phase at 298 K

Article on Abraham model correlations for describing solute transfer into 2-butoxyethanol from both water and the gas phase at 298 K.
Date: June 3, 2015
Creator: Sedov, Igor A.; Stolov, Mikhail; Hart, Erin; Grover, Damini; Zettl, Heidi; Koshevarova, Victoria et al.
Object Type: Article
System: The UNT Digital Library
Abraham Model Correlations for Estimating Solute Transfer of Neutral Molecules into Anhydrous Acetic Acid from Water and from the Gas Phase (open access)

Abraham Model Correlations for Estimating Solute Transfer of Neutral Molecules into Anhydrous Acetic Acid from Water and from the Gas Phase

Article on Abraham model correlations for estimating solute transfer of neutral molecules into anhydrous acetic acid from water and from the gas phase.
Date: September 1, 2015
Creator: Stovall, Dawn M.; Schmidt, Amber; Dai, Colleen; Zhang, Shoshana; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type: Article
System: The UNT Digital Library
Abraham model correlations for predicting gas-to-liquid partition coefficients and activity coefficients of organic solutes dissolved in 1-(2-methoxyethyl)-1-methylpyrrolidinium tris(pentafluoroethyl) trifluorophosphate (open access)

Abraham model correlations for predicting gas-to-liquid partition coefficients and activity coefficients of organic solutes dissolved in 1-(2-methoxyethyl)-1-methylpyrrolidinium tris(pentafluoroethyl) trifluorophosphate

Article on Abraham model correlations for predicting gas-to-liquid partition coefficients and activity coefficients of organic solutes.
Date: 2013
Creator: Jiang, Rui; Anderson, Jared L.; Stephens, Timothy W.; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type: Article
System: The UNT Digital Library
Abraham model correlations for solute partitioning into o-xylene, m-xylene and p-xylene from both water and the gas phase (open access)

Abraham model correlations for solute partitioning into o-xylene, m-xylene and p-xylene from both water and the gas phase

Article on Abraham model correlations for solute partitioning into o-xylene, m-xylene and p-xylene from both water and the gas phase.
Date: September 2011
Creator: Stephens, Timothy W.; De la Rosa, Nohelli E.; Saifullah, Mariam; Ye, Shulin; Chou, Vicky; Quay, Amanda N. et al.
Object Type: Article
System: The UNT Digital Library
Abraham Model Correlations for Solute Transfer into 2-Ethoxyethanol from Water and from the Gas Phase (open access)

Abraham Model Correlations for Solute Transfer into 2-Ethoxyethanol from Water and from the Gas Phase

Article on Abraham model correlations for solute transfer into 2-ethoxyethanol from water and from the gas phase.
Date: August 1, 2015
Creator: Sedov, Igor A.; Stolov, Mikhail; Hart, Erin; Grover, Damini; Zettl, Heidi; Koshevarova, Victoria et al.
Object Type: Article
System: The UNT Digital Library
Abraham Model Correlations for Transfer of Neutral Molecules and Ions to Sulfolane (open access)

Abraham Model Correlations for Transfer of Neutral Molecules and Ions to Sulfolane

Article on Abraham model correlations for the transfer of neutral molecules and ions to sulfolane.
Date: October 15, 2011
Creator: Stephens, Timothy W.; De la Rosa, Nohelli E.; Saifullah, Mariam; Ye, Shulin; Chou, Vicky; Quay, Amanda N. et al.
Object Type: Article
System: The UNT Digital Library
Abraham Model Correlations for Triethylene Glycol Solvent Derived from Infinite Dilution Activity Coefficient, Partition Coefficient and Solubility Data Measured at 298.15 K (open access)

Abraham Model Correlations for Triethylene Glycol Solvent Derived from Infinite Dilution Activity Coefficient, Partition Coefficient and Solubility Data Measured at 298.15 K

This article describes the use of a gas chromatographic headspace analysis method to experimentally determine gas-to-liquid partition coefficients and infinite dilution activity coefficients for 29 liquid organic solutes dissolved in triethylene glycol at 298.15 K.
Date: November 9, 2017
Creator: Sedov, Igor A.; Magsumov, Timur I.; Hart, Erin; Ramirez, Ashley M.; Cheeran, Sarah; Barrera, Maribel et al.
Object Type: Article
System: The UNT Digital Library
Abraham Model Descriptors for Melatonin; Prediction of Solution, Biological and Thermodynamic Properties (open access)

Abraham Model Descriptors for Melatonin; Prediction of Solution, Biological and Thermodynamic Properties

Article using literature solubilities to obtain properties or descriptors of melatonin.
Date: January 27, 2022
Creator: Liu, Xiangli; Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library

Abraham Model Linear Free Energy Relationships as a Means of Extending Solubility Studies to Include the Estimation of Solute Solubilities in Additional Organic Solvents

This article calculates Abraham model solute descriptors for 5-nitro-8-hydroxyquinoline, 2-methyl-6-nitroaniline, and terephthaldialdehyde using experimental solubility data taken from papers published in The Journal of Chemical Thermodynamics in 2016.
Date: July 21, 2016
Creator: Acree, William E. (William Eugene); Horton, Melissa Y.; Higgins, Elizabeth & Abraham, M. H. (Michael H.)
Object Type: Article
System: The UNT Digital Library
Abraham Solvation Parameter Model: Calculation of L Solute Descriptors for Large C11 to C42 Methylated Alkanes from Measured Gas–Liquid Chromatographic Retention Data (open access)

Abraham Solvation Parameter Model: Calculation of L Solute Descriptors for Large C11 to C42 Methylated Alkanes from Measured Gas–Liquid Chromatographic Retention Data

This article determines Abraham model L solute descriptors for 149 additional C11 to C42 monomethylated and polymethylated alkanes based on published Kovat’s retention indices based upon gas–liquid chromatographic measurements.
Date: July 5, 2022
Creator: Wu, Emily; Sinha, Sneha; Yang, Chelsea; Zhang, Miles & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library