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752 Matching Results
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1-Benzyl-3,5-bis(4-chlorobenzylidene)-piperidin-4-one
The title compound, C₂₆H₂₁Cl₂NO, crystallizes with two symmetry-independent molecules in the asymmetric unit.
Date:
May 16, 2011
Creator:
Nesterov, Volodymyr V.; Sarkisov, Sergey S.; Shulaev, Vladimir & Nesterov, Vladimir N.
System:
The UNT Digital Library
3,5-Bis(4-chlorobenzylidene)-1-methyl-piperidin-4-one
In the title molecule, C₂₀H₁₇Cl₂NO, the central heterocyclic ring adopts a flattened boat conformation.
Date:
February 23, 2011
Creator:
Nesterov, Volodymyr V.; Sarkisov, Sergey S.; Shulaev, Vladimir & Nesterov, Vladimir N.
System:
The UNT Digital Library
3-Center-4-Electron Bonding in [(silox)2Mo=NtBu]2(μ-Hg) Controls Reactivity while Frontier Orbitals Permit a Dimolybdenum π-Bond Energy Estimate
Article describing research on 3-center-4-electron bonding in [(silox)2Mo=NtBu]2(mu-Hg).
Date:
May 18, 2005
Creator:
Rosenfeld, Devon C.; Wolczanski, Peter T.; Barakat, Khaldoon A.; Buda, Corneliu & Cundari, Thomas R., 1964-
System:
The UNT Digital Library
[5,10,15,20-Tetrakis (4-methoxyphenyl)-porphyrinato] zinc dichloromethane disolvate
Article on 5,10,15,20-tetrakis(4-methoxyphenyl)-porphyrinato] zinc dichloromethane disolvate.
Date:
July 24, 2013
Creator:
McGill, Sean; Nesterov, Vladimir N. & Gould, Stephanie L.
System:
The UNT Digital Library
[5,10,15,20-Tetrakis(4-tolyl)porphyrin]-zinc(II) dichloromethane solvate
In the title complex, [Zn(C₄₈H₃₆N₄)]·CH₂Cl₂, the Znᴵᴵ atom lies on an inversion center and the dichloromethane solvent molecule is disordered around an inversion center.
Date:
May 26, 2010
Creator:
McGill, Sean; Nesterov, Vladimir N. & Gould, Stephanie L.
System:
The UNT Digital Library
5-Cyano-1,3-phenylene diacetate
This article discusses 5-cyano-1,3-phenylene diacetate.
Date:
May 24, 2014
Creator:
Abbassi, Bahar; Brumfield, Michela; Jones, Lloyd M.; Nesterov, Vladimir N. & Carr, Andrew J.
System:
The UNT Digital Library
The 2011 Beta Eta Spring Banquet. Celebration of Rediscovery of the Elements
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.
Date:
Summer 2011
Creator:
Marshall, James L., 1940-
System:
The UNT Digital Library
Ab Initio and Kinetic Modeling Studies of Formic Acid Oxidation
Article on ab initio and kinetic modeling studies of formic acid oxidation.
Date:
2015
Creator:
Marshall, Paul & Glarborg, Peter
System:
The UNT Digital Library
An ab Initio Investigation of Halocarbenes
Article on an ab initio investigation of halocarbenes.
Date:
September 10, 1999
Creator:
Schwartz, Martin & Marshall, Paul
System:
The UNT Digital Library
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
System:
The UNT Digital Library
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
System:
The UNT Digital Library
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
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
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
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.
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
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.)
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
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.)
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
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.
System:
The UNT Digital Library
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.
System:
The UNT Digital Library
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.
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.)
System:
The UNT Digital Library
Accurate Enthalpies of Formation of Alkali and Alkaline Earth Metal Oxides and Hydroxides: Assessment of the Correlation Consistent Composite Approach (ccCA)
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).
Date:
July 12, 2006
Creator:
Ho, Dustin S.; DeYonker, Nathan J.; Cundari, Thomas R., 1964- & Wilson, Angela K.
System:
The UNT Digital Library
Accurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with caution
This article discusses potential problems if the widely-applied MP2 approach is used in such situations with basis sets of insufficient size.
Date:
January 29, 2013
Creator:
Goerigk, Lars; Karton, Amir; Martin, Jan M. L. & Radom, Leo
System:
The UNT Digital Library
Acid-Base Indicators: Transition Colours and pH Ranges Determined in Select Aqueous-Organic Mixed Solvents
Article on acid-base indicators and transition colours and pH ranges determined in select aqueous-organic mixed solvents.
Date:
March 28, 1995
Creator:
Tucker, Sheryl A. (Sheryl Ann); Bates, Heather C. & Acree, William E. (William Eugene)
System:
The UNT Digital Library
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
Article on a comparison of density functional theory with single- and multireference correlation consistent composite approaches (ccCA).
Date:
October 19, 2009
Creator:
Tekarli, Sammer M.; Williams, T. Gavin & Cundari, Thomas R., 1964-
System:
The UNT Digital Library