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  Partner: UNT College of Arts and Sciences
 Department: Chemistry
 Language: English
 Collection: UNT Scholarly Works
3-Center-4-Electron Bonding in [(silox)2Mo=NtBu]2(μ-Hg) Controls Reactivity while Frontier Orbitals Permit a Dimolybdenum π-Bond Energy Estimate

3-Center-4-Electron Bonding in [(silox)2Mo=NtBu]2(μ-Hg) Controls Reactivity while Frontier Orbitals Permit a Dimolybdenum π-Bond Energy Estimate

Date: May 18, 2005
Creator: Rosenfeld, Devon C.; Wolczanski, Peter T.; Barakat, Khaldoon A.; Buda, Corneliu & Cundari, Thomas R., 1964-
Description: Article describing research on 3-center-4-electron bonding in [(silox)2Mo=NtBu]2(mu-Hg).
Contributing Partner: UNT College of Arts and Sciences
[5,10,15,20-Tetrakis (4-methoxyphenyl)-porphyrinato] zinc dichloromethane disolvate

[5,10,15,20-Tetrakis (4-methoxyphenyl)-porphyrinato] zinc dichloromethane disolvate

Date: July 2, 2013
Creator: McGill, Sean; Nesterov, Vladimir N. & Gould, Stephanie L.
Description: Article on 5,10,15,20-tetrakis(4-methoxyphenyl)-porphyrinato] zinc dichloromethane disolvate.
Contributing Partner: UNT College of Arts and Sciences
20 Mule Team

20 Mule Team

Date: Summer 2015
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Description: This photograph from the front cover of an issue of the Hexagon Journal displays the mock 20 mule team that stands outside of the Rio Tinto Borax Museum in Boron, California. The mule team depicts the original mode used to transport the chemical compound, borax, out of Death Valley between 1883 and 1888. A description of the photograph is shown on page 23 of the journal.
Contributing Partner: UNT College of Arts and Sciences
The 2011 Beta Eta Spring Banquet. Celebration of Rediscovery of the Elements

The 2011 Beta Eta Spring Banquet. Celebration of Rediscovery of the Elements

Date: Summer 2011
Creator: Marshall, James L., 1940-
Description: Article describing an Eta Beta celebration of the completion of James and Virginia Marshall's "Rediscovery of the Elements." Photographs from the event are included. Three separate articles appear on the right side of the page.
Contributing Partner: UNT College of Arts and Sciences
Ab Initio and Kinetic Modeling Studies of Formic Acid Oxidation

Ab Initio and Kinetic Modeling Studies of Formic Acid Oxidation

Date: 2015
Creator: Marshall, Paul & Glarborg, Peter
Description: Article on ab initio and kinetic modeling studies of formic acid oxidation.
Contributing Partner: UNT College of Arts and Sciences
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 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
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
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
Activation of water on the TiO2 (110) surface: The case of Ti adatoms

Activation of water on the TiO2 (110) surface: The case of Ti adatoms

Date: February 8, 2012
Creator: Miao, Meng; Liu, Yingchun; Wang, Qi; Wu, Tao; Huang, Liping; Gubbins, Keith E. et al.
Description: Article on the activation of water on the TiO2 (110) surface.
Contributing Partner: UNT College of Arts and Sciences
Activity Coefficients at Infinite Dilution for Organic Compounds Dissolved in 1-Alkyl-1-methylpyrrolidinium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Having Six-, Eight-, and Ten-Carbon Alkyl Chains

Activity Coefficients at Infinite Dilution for Organic Compounds Dissolved in 1-Alkyl-1-methylpyrrolidinium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Having Six-, Eight-, and Ten-Carbon Alkyl Chains

Date: October 31, 2012
Creator: Acree, William E. (William Eugene); Baker, Gary A.; Revelli, Anne-Laure; Moïse, Jean-Charles & Mutelet, Fabrice
Description: Article on activity coefficients at infinite dilution for organic compounds dissolved in 1-alkyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide ionic liquids having six-, eight-, and ten-carbon alkyl chains.
Contributing Partner: UNT College of Arts and Sciences
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