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Lip-Lip Interactions and the Growth of Multiwalled Carbon Nanotubes
Article on lip-lip interactions and the growth of multiwalled carbon nanotubes.
Date:
January 12, 1998
Creator:
Buongiorno Nardelli, Marco; Brabec, Charles; Roland, Christopher & Bernholc, Jerry
Object Type:
Article
System:
The UNT Digital Library
Mn Interstitial Diffusion in (Ga, Mn)As
This article describes a combined theoretical and experimental study of the ferromagnetic semiconductor (Ga, Mn)As which explains the remarkably lard changes observed on low-temperature annealing.
Date:
January 23, 2004
Creator:
Edmonds, Kevin; Boguslawski, Piotr; Wang, K. Y.; Campion, Richard Paul; Novikov, Sergei; Farley, N. R. S. et al.
Object Type:
Article
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
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
Periodic and Molecular Modeling Study of Donor - Acceptor Interactions in (dbbpy)Pt(tdt) • TENF and [Pt(dbbpy)(tdt)]₂ • TENF
This article discusses a periodic and molecular modeling study. Supramolecular stacked materials (dbbpy)Pt(tdt)•TENF and [Pt(dbbpy)(tdt)]₂•TENF are built from (dbbpy)Pt(tdt) donors (D) with TENF acceptors (A) (TENF = 2,4,5,7-tetranitro-9-fluorenone; dbbpy = 4,4'-di-tert-butyl-2,2'-bipyridine; tdt = 3,4-toluenedithiolate).
Date:
January 15, 2010
Creator:
Cundari, Thomas R., 1964-; Chilukuri, Bhaskar; Hudson, Joshua M.; Minot, Christian; Omary, Mohammad A. & Rabaâ, Hassan
Object Type:
Article
System:
The UNT Digital Library
Kinetic and modeling studies of the reaction of hydroxyl radicals with tetrachloroethylene
Article on kinetic and modeling studies of the reaction of hydroxyl radicals with tetrachloroethylene.
Date:
January 29, 2000
Creator:
Tichenor, LeAnn B.; Graham, John L.; Yamada, Takahiro; Taylor, Philip H.; Peng, Jingping; Hu, Xiaohua et al.
Object Type:
Article
System:
The UNT Digital Library
Gas Phase Kinetics and Equilibrium of Allyl Radical Reactions with NO and NO₂
Article on gas phase kinetics and equilibrium of allyl radical reactions with NO and NO₂.
Date:
January 11, 2013
Creator:
Rissanen, Matti P.; Amedro, Damien; Krasnoperov, Lev N.; Marshall, Paul & Timonen, Raimo S.
Object Type:
Article
System:
The UNT Digital Library
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
Comments on "Solubility and Dissolution Thermodynamic Data of Cefpiramide in Pure Solvents and Binary Solvents"
Abstract: Errors are found in the mathematical correlation based on the combined Jouyban-Acree and Modified Apelblat model for describing the variation in the mole fraction solubility of cefpiramide with temperature and solvent composition for the binary aqueous-ethanol solvent system. The equation coefficents given by Tang and coworkers, when substituted into the model equation, do not yield the authors' calculated mole fraction solubilities of cefpiramide.
Date:
January 24, 2018
Creator:
Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Olefin Substitution in (silox)3M(olefin) (silox = tBu3SiO; M = Nb, Ta): The Role of Density of States in Second vs Third Row Transition Metal Reactivity
This article discusses the role of density of states in second vs third row transition metal reactivity.
Date:
January 8, 2008
Creator:
Hirsekorn, Kurt F.; Hulley, Elliott B.; Wolczanski, Peter T. & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
Carbon-Hydrogen Bond Activation by Titanium Imido Complexes. Computational Evidence for the Role of Alkane Adducts in Selective C-H Activation
This article reports calculations that probe the role of R (hydrocarbon) and R' (ligand substituent) effects on the reaction coordinate for C-H activation.
Date:
January 19, 2002
Creator:
Cundari, Thomas R., 1964-; Klinckman, Thomas R. & Wolczanski, Peter T.
Object Type:
Article
System:
The UNT Digital Library
Selective Extraction of N₂ from Air by Diarylimine Iron Complexes
This article discusses selective extraction of N₂ from air by diarylimine iron complexes.
Date:
January 30, 2013
Creator:
Bartholomew, Erika R.; Volpe, Emily C.; Wolczanski, Peter T.; Lobkovsky, Emil B. & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
Mechanism of Hydrogenolysis of an Iridium Methyl Bond: Evidence for a Methane Complex Intermediate
Article on the mechanism of hydrogenolysis of an iridium methyl bond and evidence for a methane complex intermediate.
Date:
January 11, 2013
Creator:
Campos, Jesus; Kundu, Sabuj; Pahls, Dale R.; Brookhart, Maurice S.; Carmona, Ernesto & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
Calculation of a Methane C-H Oxidative Addition Trajectory: Comparison to Experiment and Methane Activation by High-Valent Complexes
Article discussing research on the calculation of methane C-H oxidative addition trajectory and a comparison to experiment and methane activation by high-valent complexes.
Date:
January 1994
Creator:
Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
Comment on "Structural Determinants of Drug Partitioning in Surrogates of Phosphatidylcholine Bilayer Strata"
This article gives comment to a previous article published in 'Molecular Pharmaceuticals' titled, "Structural Determinants of Drug Partitioning in Surrogates of Phosphatidylcholine Bilayer Strata."
Date:
January 13, 2015
Creator:
Acree, William E. (William Eugene); Brumfield, Michela & Abraham, M. H. (Michael H.)
Object Type:
Article
System:
The UNT Digital Library
Primary and Secondary Inner Filtering: Effect of K₂Cr₂O₇ on Fluorescence Emission Intensities of Quinine Sulfate
Article on primary and secondary inner filtering and the effect of K₂Cr₂O₇ on fluorescence emission intensities of quinine sulfate.
Date:
January 1, 1992
Creator:
Tucker, Sheryl A. (Sheryl Ann); Amszi, Vicki L. & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Solubility of Anthracene in Binary Alcohol + 2-Methoxyethanol Solvent Mixtures
Article on the solubility of anthracene in binary alcohol + 2-methoxyethanol solvent mixtures.
Date:
January 11, 1996
Creator:
McHale, Mary E. R.; Powell, Joyce R.; Kauppila, Ann-Sofi M. & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Solubility of Anthracene in Ternary 2-Butoxyethanol + Alkane + Propanol Solvent Mixtures
Article on the solubility of anthracene in ternary 2-butoxyethanol + alkane + propanol solvent mixtures.
Date:
January 29, 1999
Creator:
Deng, Taihe; Horiuchi, Satoru; Roy, Lindsay Elizabeth & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
A Student-Designed Analytical Laboratory Method: Titrations and Indicator Ranges in Mixed Aqueous-Organic Solvents
Article on a student-designed analytical laboratory method for titrations and indicator ranges in mixed aqueous-organic solvents
Date:
January 1, 1994
Creator:
Tucker, Sheryl A. (Sheryl Ann) & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Studying Acid-Base Equilibria in Two-Phase Solvent Media: Analyzing Results Using Aqueous Surfactant Solutions with Organic Solvents in the Titration of Analytes with Low Solubilities and Low Dissociation Constants
Article discussing studying acid-base equilibria in two-phase solvent media and analyzing results using aqueous surfactant solutions with organic solvents in the titration of analytes with low solubilities with low dissociation constants.
Date:
January 1, 1993
Creator:
Tucker, Sheryl A. (Sheryl Ann); Amszi, Vicki L. & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Computational studies of the potential energy surface for O(³P) + H₂S: Characterization of transition states and the enthalpy of formation of HSO and HOS
Article on computational studies of the potential energy surface for O(³P) + H₂S and the characterization of transition states and the enthalpy of formation of HSO and HOS.
Date:
January 1, 1995
Creator:
Goumri, Abdellatif; Laakso, Dianna; Rocha, John-David Ray; Smith, C. E. & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
A computational study of chlorofluoro-methyl radicals
Article on a computational study of chlorofluoro-methyl radicals.
Date:
January 8, 2003
Creator:
Schwartz, Martin; Peebles, Lynda R.; Berry, Rajiv & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
A computational study of the enthalpies of formation of halomethylidynes
Article on a computational study of the enthalpies of formation of halomethylidynes.
Date:
January 22, 1999
Creator:
Marshall, Paul; Misra, Ashutosh & Schwartz, Martin
Object Type:
Article
System:
The UNT Digital Library
Excess Volumes of Ternary Mixtures Containing p-Chlorotoluene and Octane with 1-Alkanols at 303.15 K
Article discussing excess volumes of ternary mixtures containing p-chlorotoluene and octane with 1-alkanols at 303.15 K.
Date:
January 1994
Creator:
Kumar, Kasibhatta S.; Naidu, Puligundla R. & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library