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Comments Concerning "Study of Molecular Interaction in Binary Liquid Mixtures of Ethyl Acetoacetate with Chloroform and Dimethylsulphoxide using Excess Acoustic Parameters and Spectroscopic Methods
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."
Date:
February 18, 2014
Creator:
Acree, William E. (William Eugene) & Stephens, Timothy W.
Object Type:
Article
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
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-
Object Type:
Article
System:
The UNT Digital Library
Partition Coefficients of Organic Compounds in Four New Tetraalkylammonium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Using Inverse Gas Chromatography
This article discusses partition coefficients of organic compounds in four new tetraalkylammonium bis(trifluoromethylsulfonyl)imide ionic liquids using inverse gas chromatography.
Date:
August 18, 2011
Creator:
Acree, William E. (William Eugene); Baker, Gary A.; Mutelet, Fabrice & Moïse, Jean-Charles
Object Type:
Article
System:
The UNT Digital Library
Commentary on “Uncover the Effect of Solvent and Temperature on Solid-Liquid Equilibrium Behavior of L-Norvaline”
This article provides a commentary on several sets of reported curve-fit parameters for the Modified Apelblat model that do not correctly back-calculate the observed solubility behavior of L-norvaline in the binary aqueous-alcohol solvent mixtures.
Date:
September 18, 2017
Creator:
Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Hydrogen Bonding between Solutes in Solvents Octan-1-ol and Water
This article discusses hydrogen bonding between solutes in solvents octan-1-ol and water.
Date:
October 18, 2010
Creator:
Abraham, M. H. (Michael H.); Gola, Joelle R. M.; Cometto-Muñiz, J. Enrique & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
The Synergy Between Qualitative Theory, Quantitative Calculations, and Direct Experiments in Understanding, Calculating, and Measuring the Energy Differences Between the Lowest Singlet and Triplet States of Organic Diradicals
Article discussing the synergy between qualitative theory, quantitative calculations, and direct experiments in understanding, calculating, and measuring the energy differences between the lowest singlet and triplet states of organic diradicals.
Date:
April 18, 2012
Creator:
Lineberger, W. Carl & Borden, Weston T.
Object Type:
Article
System:
The UNT Digital Library
Calculations of the Relative Energies of the 2B1g and 2A2u States of Cyclobutanetetraone Radical Cation and Radical Anion Provide Further Evidence of a 3B2u Ground State for the Neutral Molecule: A Proposed Experimental Test of the Prediction of a Triplet Ground State for (CO)4
Article on a proposed experimental test of the prediction of a triplet ground state for (CO)4.
Date:
August 18, 2009
Creator:
Zhou, Xin; Hrovat, David A. & Borden, Weston T.
Object Type:
Article
System:
The UNT Digital Library
Modified transition state theory and negative apparent activation energies of simple metathesis reactions: Application to the reaction CH₃ + HBr + CH₄ + Br
Article on modified transition state theory and negative apparent activation energies of simple metathesis reactions and application to the reaction CH₃ + HBr + CH₄ + Br.
Date:
December 18, 2006
Creator:
Krasnoperov, Lev N.; Peng, Jingping & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Abraham Solvation Parameter Model: Prediction of Enthalpies of Vaporization and Sublimation of Mono-Methyl Branched Alkanes Using Measured Gas Chromatographic Data
Article determines Abraham model L solute descriptors for 174 additional mono-methyl branched alkanes based on published linear-programmed gas chromatographic retention indices.
Date:
June 18, 2020
Creator:
Liu, Grace; Eddula, Shrika; Jiang, Carina; Huang, Jennifer; Tirumala, Priya; Xu, Angelina et al.
Object Type:
Article
System:
The UNT Digital Library
Direct Graphene Growth on Metal Oxides by Molecular Epitaxy
Patent relating to the controlled, layer-by-layer growth of graphene on a useful, magnetizable/and or insulating substrate using molecular beam epitaxy (MBE).
Date:
June 13, 2013
Creator:
Kelber, Jeffry A.
Object Type:
Patent
System:
The UNT Digital Library
Controlled Depositions of Metal and Metal Cluster Ions by Surface Field Patterning in Soft-Landing Devices
Patent relating to controlled deposition of metal and metal cluster ions by surface field patterning in soft-landing devices.
Date:
April 19, 2011
Creator:
Verbeck, Guido F. & Davila, Stephen
Object Type:
Patent
System:
The UNT Digital Library
Solvation Descriptors for Ferrocene, and the Estimation of Some Physicochemical and Biochemical Properties
Article on solvation descriptors for ferrocene, and the estimation of some physiochemical and biochemical properties.
Date:
September 18, 2000
Creator:
Abraham, M. H. (Michael H.); Benjellou-Dakhama, Nora; Gola, Joelle R. M.; Acree, William E. (William Eugene); Cain, William S. & Cometto-Muñiz, J. Enrique
Object Type:
Article
System:
The UNT Digital Library
Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes
Article reports on singlet oxygen sensitization involving a class of hemiquinonoid-substituted resorcinarenes prepared from the corresponding 3,5-di-t-butyl-4-hydroxyphenyl-substituted resorcinarenes.
Date:
February 18, 2020
Creator:
Payne, Daniel T.; Webre, W. A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A. et al.
Object Type:
Article
System:
The UNT Digital Library
Coinage Metal-Ethylene Complexes Supported by Tris(pyrazolyl)borates: A Computational Study
Article discussing a computational study of coinage metal-ethylene complexes supported by tris(pyrazolyl)borates.
Date:
February 18, 2009
Creator:
Kazi, Abul B.; Dias, H. V. Rasika; Tekarli, Sammer M.; Morello, Glenn R. & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
Unusual Properties of Hydrogen-Bonded Ferroelectrics: The Case of Cobalt Formate
Article using first-principles simulations to predict room temperature ferroelectricity in a representative of the formate family, [NH₂NH₃][Co(HCOO)₃].
Date:
February 18, 2022
Creator:
Ghosh, P. S.; DeTellem, D.; Ren, J.; Witanachchi, S.; Ma, Shengqian; Lisenkov, S. et al.
Object Type:
Article
System:
The UNT Digital Library