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  Partner: UNT College of Arts and Sciences
 Collection: UNT Scholarly Works
Ab Initio Calculations and Kinetic Modeling of Halon and Halon Replacements

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.
Description: Paper for the 1996 Halon Options Technical Working Conference (HOTWC). This paper discusses ab initio calculations and kinetic modeling of halon and halon replacements.
Contributing Partner: UNT College of Arts and Sciences
Ab Initio Calculations for Kinetic Modeling of Halocarbons

Ab Initio Calculations for Kinetic Modeling of Halocarbons

Date: 1998
Creator: Berry, Rajiv; Schwartz, Martin & Marshall, Paul
Description: This book chapter discusses ab initio calculations for kinetic modeling of halocarbons.
Contributing Partner: UNT College of Arts and Sciences
An ab Initio Investigation of Halocarbenes

An ab Initio Investigation of Halocarbenes

Date: September 10, 1999
Creator: Schwartz, Martin & Marshall, Paul
Description: Article on an ab initio investigation of halocarbenes.
Contributing Partner: UNT College of Arts and Sciences
ab initio Solubility Prediction of Non-Electrolytes in Ternary Solvents Using a Combination of Jouyban-Acree and Abraham Models

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

Date: February 1, 2008
Creator: Jouyban, Abolghasem; Khoubnasabjafari, Maryam; Hamidi, Ali A. & Acree, William E. (William Eugene)
Description: Article on the ab initio solubility prediction of non-electrolytes in ternary solvents using a combination of Jouyban-Acree and Abraham models.
Contributing Partner: UNT College of Arts and Sciences
Ab Initio Studies of Polarization and Piezoelectricity in Vinylidene Fluoride and BN-Based Polymers

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
Description: Article on ab initio studies of polarization and piezoelectricity in vinylidene fluoride and BN-based polymers.
Contributing Partner: UNT College of Arts and Sciences
An ab Initio Study of Sulfinic Acid and Related Species

An ab Initio Study of Sulfinic Acid and Related Species

Date: September 16, 1991
Creator: Laakso, Dianna & Marshall, Paul
Description: Article on an ab initio study of sulfinic acid and related species.
Contributing Partner: UNT College of Arts and Sciences
An ab initio study of the ionization of sodium superoxide

An ab initio study of the ionization of sodium superoxide

Date: November 15, 1991
Creator: Marshall, Paul
Description: Article on an ab initio study of the ionization of sodium superoxide.
Contributing Partner: UNT College of Arts and Sciences
An ab initio study of the reaction of atomic hydrogen with sulfur dioxide

An ab initio study of the reaction of atomic hydrogen with sulfur dioxide

Date: October 1, 1991
Creator: Binns, Derk Douglas & Marshall, Paul
Description: Article on an ab initio study of the reaction of atomic hydrogen with sulfur dioxide.
Contributing Partner: UNT College of Arts and Sciences
Ab initio transport properties of nanostructures from maximally localized Wannier functions

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
Description: Article on ab initio transport properties of nanostructures from maximally localized Wannier functions.
Contributing Partner: UNT College of Arts and Sciences
Abraham Model Correlations for Describing Solute Transfer into 2-Butoxyethanol from Both Water and the Gas Phase at 298 K

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.
Description: Article on Abraham model correlations for describing solute transfer into 2-butoxyethanol from both water and the gas phase at 298 K.
Contributing Partner: UNT College of Arts and Sciences
Abraham Model Correlations for Estimating Solute Transfer of Neutral Molecules into Anhydrous Acetic Acid from Water and from the Gas Phase

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.)
Description: Article on Abraham model correlations for estimating solute transfer of neutral molecules into anhydrous acetic acid from water and from the gas phase.
Contributing Partner: UNT College of Arts and Sciences
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

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

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

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.
Description: Article on Abraham model correlations for solute partitioning into o-xylene, m-xylene and p-xylene from both water and the gas phase.
Contributing Partner: UNT College of Arts and Sciences
Abraham Model Correlations for Solute Transfer into 2-Ethoxyethanol from Water and from the Gas Phase

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.
Description: Article on Abraham model correlations for solute transfer into 2-ethoxyethanol from water and from the gas phase.
Contributing Partner: UNT College of Arts and Sciences
Abraham Model Correlations for Transfer of Neutral Molecules and Ions to Sulfolane

Abraham Model Correlations for 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.
Description: Article on Abraham model correlations for the transfer of neutral molecules and ions to sulfolane.
Contributing Partner: UNT College of Arts and Sciences
Absorption and Emission in the Non-Poissonian Case

Absorption and Emission in the Non-Poissonian Case

Date: July 28, 2004
Creator: Aquino, Gerardo; Palatella, Luigi & Grigolini, Paolo
Description: Article on absorption and emission in the Non-Poissonian Case.
Contributing Partner: UNT College of Arts and Sciences
An abstract index theorem on non-compact Riemannian manifolds

An abstract index theorem on non-compact Riemannian manifolds

Date: 1993
Creator: Anghel, Nicolae
Description: Article on an abstract index theorem on non-compact Riemannian manifolds.
Contributing Partner: UNT College of Arts and Sciences
Accountability versus Autonomy? Toward a More Responsible Practice of Science

Accountability versus Autonomy? Toward a More Responsible Practice of Science

Date: February 2013
Creator: Barr, Kelli R.
Description: This paper was awarded a Nicholas and Anna Ricco Ethics Award for 2013. In this paper, the author discusses issues related to accountability versus autonomy and suggestions toward a more responsible practice of science.
Contributing Partner: UNT College of Arts and Sciences
Accountable Science: The COMPETES Act Needs to Demonstrate an Accountability Attitude

Accountable Science: The COMPETES Act Needs to Demonstrate an Accountability Attitude

Date: September 16, 2010
Creator: Holbrook, J. Britt
Description: Article on the U.S. National Science Foundation's (NSF) Broader Impacts Merit Review Criterion in relation to the America COMPETES Reauthorization Act of 2010.
Contributing Partner: UNT College of Arts and Sciences
Accumulation of  α-Keto Acids as Essential Components in Cyanide Assimilation by Pseudomonas fluorescens NCIMB 11764

Accumulation of α-Keto Acids as Essential Components in Cyanide Assimilation by Pseudomonas fluorescens NCIMB 11764

Date: November 1998
Creator: Kunz, Daniel A.; Chen, Jui-Lin & Pan, Guangliang
Description: Article on the accumulation of α-Keto acids as essential components in cyanide assimilation by Pseudomonas fluorescens NCIMB 11764.
Contributing Partner: UNT College of Arts and Sciences
Accurate Enthalpies of Formation of Alkali and Alkaline Earth Metal Oxides and Hydroxides: Assessment of the Correlation Consistent Composite Approach (ccCA)

Accurate Enthalpies of Formation of Alkali and Alkaline Earth Metal Oxides and Hydroxides: Assessment of the Correlation Consistent Composite Approach (ccCA)

Date: July 12, 2006
Creator: Ho, Dustin S.; DeYonker, Nathan J.; Cundari, Thomas R., 1964- & Wilson, Angela K.
Description: Article on accurate enthalpies of formation of alkali and alkaline earth metal oxides and hydroxides and an assessment of the correlation consistent composite approach (ccCA).
Contributing Partner: UNT College of Arts and Sciences
Acid-Base Indicators: Transition Colours and pH Ranges Determined in Select Aqueous-Organic Mixed Solvents

Acid-Base Indicators: Transition Colours and pH Ranges Determined in Select Aqueous-Organic Mixed Solvents

Date: August 1, 1995
Creator: Tucker, Sheryl A. (Sheryl Ann); Bates, Heather C. & Acree, William E. (William Eugene)
Description: Article on acid-base indicators and transition colours and pH ranges determined in select aqueous-organic mixed solvents.
Contributing Partner: UNT College of Arts and Sciences
Activation of Carbon-Hydrogen and Hydrogen-Hydrogen Bonds by Copper-Nitrenes: A Comparison of Density Functionality Theory with Single- and Multireference Correlation Consistent Composite Approaches

Activation of Carbon-Hydrogen and Hydrogen-Hydrogen Bonds by Copper-Nitrenes: A Comparison of Density Functionality Theory with Single- and Multireference Correlation Consistent Composite Approaches

Date: October 19, 2009
Creator: Tekarli, Sammer M.; Williams, T. Gavin & Cundari, Thomas R., 1964-
Description: Article on a comparison of density functional theory with single- and multireference correlation consistent composite approaches (ccCA).
Contributing Partner: UNT College of Arts and Sciences
Activation of Carbon-Hydrogen Bonds via 1,2-Addition across M-X (X = OH or NH2) Bonds of d6 Transition Metals as a Potential Key Step in Hydrocarbon Functionalization: A Computational Study

Activation of Carbon-Hydrogen Bonds via 1,2-Addition across M-X (X = OH or NH2) Bonds of d6 Transition Metals as a Potential Key Step in Hydrocarbon Functionalization: A Computational Study

Date: October 6, 2007
Creator: Cundari, Thomas R., 1964-; Grimes, Thomas V. & Gunnoe, T. Brent
Description: Article discussing a computational study on the activation of carbon-hydrogen bonds via 1,2-addition across M-X (X = OH or NH2) bonds of d6 transition metals as a potential key step in hydrocarbon functionalization.
Contributing Partner: UNT College of Arts and Sciences