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The Butterfly Dimer [(tBu3SiO)Cr]2 (μ-OSitBu3)2 and Its Oxidative Cleavage to (tBu3SiO)2 Cr(=N-N=CPh2)2 and (tBu3SiO)2 Cr=N(2,6-Ph2-C6H3)
Article discussing research on the butterfly dimer [(ᵗBu₃SiO)Cr]₂(μ-OSiᵗBu₃)₂ and its oxidative cleavage to (ᵗBu₃SiO)₂Cr(=N-N=CPh₂)₂ and (ᵗBu₃SiO)₂Cr=N(2,6-Ph₂-C₆H₃).
Date:
January 12, 2006
Creator:
Sydora, Orson L.; Kuiper, David S.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Dinescu, Adriana & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
Application of the Correlation Consistent Composite Approach (ccCA) to Third-Row (Ga-Kr) Molecules
Article on the application of the correlation consistent composite approach (ccCA) to third-row (Ga-Kr) molecules.
Date:
January 19, 2008
Creator:
DeYonker, Nathan J.; Mintz, Benjamin; Cundari, Thomas R., 1964- & Wilson, Angela K.
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
Evidence for Strong Tantalum-to-Boron Dative Interactions in (silox)3Ta(BH3) and (silox)3Ta(ɳ2-B,CI-BCI2Ph) (silox = tBu3SiO)1
This article discusses strong tantalum-to-boron dative interactions in (silox)3Ta(BH3) and (silox)3Ta(ɳ2-B,CI-BCI2Ph) (silox = tBu3SiO)1.
Date:
January 24, 2007
Creator:
Bonanno, Jeffrey B.; Henry, Thomas P.; Wolczanski, Peter T.; Pierpont, Aaron W. & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
Catalytic Synthesis of Arylisocyanates from Nitroaromatics. A Computational Study
Article discussing a computational study on the catalytic synthesis of arylisocyanates from nitroaromatics.
Date:
January 10, 2007
Creator:
Kazi, Abul B.; Cundari, Thomas R., 1964-; Baba, Eduard; DeYonker, Nathan J.; Dinescu, Adriana & Spaine, Lloyd
Object Type:
Article
System:
The UNT Digital Library
Arylpalladium Phosphonate Complexes as Reactive Intermediates in Phosphorus-Carbon Bond Forming Reactions
Article discussing research on arylpalladium phosphonate complexes as reactive intermediates in phosphorus-carbon bond forming reactions.
Date:
January 21, 2009
Creator:
Kohler, Mark C.; Grimes, Thomas V.; Wang, Xiaoping; Cundari, Thomas R., 1964- & Stockland, Robert A., Jr.
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
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
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
Molecular Modeling of Vanadium-Oxo Complexes. A Comparison of Quantum and Classical Methods
This article discusses molecular modeling of vanadium-oxo complexes and a comparison of quantum and classical methods.
Date:
January 22, 1998
Creator:
Cundari, Thomas R., 1964-; Saunders, Leah & Sisterhen, Laura L.
Object Type:
Article
System:
The UNT Digital Library
Solubility of Pyrene in Binary Solvent Mixtures Containing Cyclohexane
This article discusses solubility of pyrene in binary solvent mixtures containing cyclohexane.
Date:
January 1987
Creator:
Judy, Cheryl L.; Pontikos, Nicholas M. & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Solubility of Phenylacetic Acid in Binary Solvent Mixtures
Article on the solubility of phenylacetic acid in binary solvent mixtures.
Date:
January 1985
Creator:
Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Solubility of Pyrene in Binary Solvent Mixtures Containing Dibutyl Ether
This article discusses the solubility of pyrene in binary solvent mixtures containing dibutyl ether.
Date:
January 1989
Creator:
Wallach, Jordana R.; Tucker, Sheryl A. (Sheryl Ann); Oswalt, Bridget M.; Murral, Debra J. & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Development of correlations for describing solute transfer into acyclic alcohol solvents based on the Abraham model and fragment-specific equation coefficients
This article discusses the development of correlations for describing solute transfer into acyclic alcohol solvents based on the Abraham model and fragment-specific equation coefficients.
Date:
January 25, 2010
Creator:
Sprunger, Laura M.; Achi, Sai S.; Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Development of Abraham model correlations for solvation characteristics of secondary and branched alcohols
This article discusses the development of Abraham model correlations for solvation characteristics of secondary and branched alcohols.
Date:
January 25, 2010
Creator:
Sprunger, Laura M.; Achi, Sai S.; Pointer, Racheal; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type:
Article
System:
The UNT Digital Library
Naphthalene Solubility in Binary Solvent Mixtures of 2,2,4-Trimethylpentane + Alcohols at 298.15 K
This article discusses naphthalene solubility in binary solvent mixtures of 2,2,4-trimethylpentane + alcohols at 298.15 K.
Date:
January 17, 2008
Creator:
Shayanfar, Ali; Soltani, Somaieh; Jabbaribar, Farnaz; Hamidi, Ali A.; Acree, William E. (William Eugene) & Jouyban, Abolghasem
Object Type:
Article
System:
The UNT Digital Library
Determination of the Solubilizing Character of 1-Methoxyethyl-1-Methylpiperidinium Tris(Pentafluoroethyl)Trifluorophosphate Based on the Abraham Solvation Parameter Model
Article on determination of solubilizing character of 1-methoxyethyl-1-methylpiperidinium tris(pentafluoroethyl) trifluorophosphate based on the Abraham solvation parameter model.
Date:
January 2012
Creator:
Twu, Pamela; Anderson, Jared L.; Stephens, Timothy W.; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type:
Article
System:
The UNT Digital Library
Equations for the Transfer of Neutral Molecules and Ionic Species from Water to Organic phases
Article on equations for the transfer of neutral molecules and ionic species from water to organic phases.
Date:
January 25, 2010
Creator:
Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Development of Surface-SFED Models for Polar Solvents
This article discusses the development of surface-SFED models for polar solvents.
Date:
January 13, 2012
Creator:
Lee, Sehan; Cho, Kwang-Hwi; Acree, William E. (William Eugene) & No, Kyoung Tai
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
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
Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance
Article on hexagon versus trimer formation in In nanowires on Si(111).
Date:
January 12, 2007
Creator:
Stekolnikov, A. A.; Seino, Kaori; Bechstedt, Friedhelm; Calzolari, Arrigo & Buongiorno Nardelli, Marco
Object Type:
Article
System:
The UNT Digital Library