UNT Scholarly Works - 1,036 Matching Results

Search Results

prev Results: 97 - 120 next
open access

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

Description: 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.
Item Type: Refine your search to only Article
Partner: UNT College of Arts and Sciences
open access

Calculations Predict a Large Inverse H/D Kinetic Isotope Effect on the Rate of Tunneling in the Ring Opening of Cyclopropylcarbinyl Radical

Description: Article on calculations predicting a large inverse H/D kinetic isotope effect on the rate of tunneling in the ring opening of cyclopropylcarbinyl radical.
Date: October 15, 2009
Creator: Zhang, Xue; Datta, Ayan; Hrovat, David A. & Borden, Weston T.
Item Type: Refine your search to only Article
Partner: UNT College of Arts and Sciences
open access

Carbon-Hydrogen Bond Activation by Titanium Imido Complexes. Computational Evidence for the Role of Alkane Adducts in Selective C-H Activation

Description: 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.
Item Type: Refine your search to only Article
Partner: UNT College of Arts and Sciences
open access

Carbon-Hydrogen Bond Activation, C-N Bond Coupling, and Cycloaddition Reactivity of a Three-Coordinate Nickel Complex Featuring a Terminal Imido Ligand

Description: In this study, we describe reaction chemistry of the first nickel(II) complexes having a terminally bound imido ligand, (dtbpe)Ni=NR (R = 2,6-ⁱPr₂C₆H₃, 2,3,6-Me₃C₆H₂ (Mes), and Ad) with various small unsaturated molecules.
Date: December 1, 2014
Creator: Mindiola, Daniel J.; Waterman, Rory; Iluc, Vlad M.; Cundari, Thomas R., 1964- & Hillhouse, Gregory L.
Item Type: Refine your search to only Article
Partner: UNT College of Arts and Sciences
open access

Carbon-Oxygen Bond Formation via Organometallic Baeyer-Villiger Transformations: A Computational Study on the Impact of Metal Identity

Description: Article discussing a computational study on the impact of metal identity and carbon-oxygen bond formation via organometallic Baeyer-Villiger transformations.
Date: December 20, 2011
Creator: Figg, Travis M.; Webb, Joanna R.; Cundari, Thomas R., 1964- & Gunnoe, T. Brent
Item Type: Refine your search to only Article
Partner: UNT College of Arts and Sciences
open access

Cation-specific and anion-specific Abraham model correlations for solute transfer into ionic liquid solvents

Description: Article discussing research on cation-specific and anion-specific Abraham model correlations for solute transfer into ionic liquid solvents.
Date: August 2010
Creator: Grubbs, Laura M.; Saifullah, Mariam; De la Rosa, Nohelli E.; Acree, William E. (William Eugene); Abraham, M. H. (Michael H.); Zhao, Qichao et al.
Item Type: Refine your search to only Article
Partner: UNT College of Arts and Sciences
open access

Characterization of Room-Temperature Ionic Liquids by the Abraham Model with Cation-Specific and Anion-Specific Equation Coefficients

Description: Article on the characterization of room-temperature ionic liquids by the Abraham model with cation-specific and anion-specific equation coefficients.
Date: April 26, 2007
Creator: Sprunger, Laura M.; Clark, Michael; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Item Type: Refine your search to only Article
Partner: UNT College of Arts and Sciences
open access

Characterization of the sorption of gaseous and organic solutes onto polydimethyl siloxane solid-phase microextraction surfaces using the Abraham model

Description: Article on the characterization of the sorption of gaseous and organic solutes onto polydimethyl siloxane solid-phase microextraction surfaces using the Abraham model.
Date: October 25, 2007
Creator: Sprunger, Laura M.; Proctor, Amy; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Item Type: Refine your search to only Article
Partner: UNT College of Arts and Sciences
open access

Charge stabilization via electron exchange: excited charge separation in symmetric, central triphenylamine derived, dimethylaminophenyl–tetracyanobutadiene donor–acceptor conjugates

Description: This article hypothesizes and demonstrates a new mechanism to stabilize the charge separated states via the process of electron exchange among the different acceptor entities in multimodular donor–acceptor conjugates. This work constitutes the first example of stabilizing charge-separated states via the process of electron exchange.
Date: November 13, 2020
Creator: Yadav, Indresh S.; Alsaleh, Ajyal Z.; Misra, Rajneesh & D'Souza, Francis
Item Type: Refine your search to only Article
Partner: UNT College of Science
open access

Chemical and Genetic Studies on the Formation of Pyrrolones During the Biosynthesis of Cytochalasans

Description: This article investigates the role of the highly conserved α,β-hydrolase enzymes PyiE and ORFZ during the biosynthesis of pyrichalasin H and the ACE1 metabolite, respectively, using gene knockout and complementation techniques. Taken together the results suggest that the α,β-hydrolase enzymes are essential for first ring cyclisation, but the precise nature of the intermediates remains to be determined.
Date: November 4, 2020
Creator: Zhang, Haili; Hantke, Verena; Bruhnke, Pia; Skellam, Elizabeth & Cox, Russell J.
Item Type: Refine your search to only Article
Partner: UNT College of Science
open access

The chemical coupling between moist CO oxidation and gas-phase potassium sulfation

Description: Article discusses how the chemical coupling between moist CO oxidation and transformation of gaseous potassium salts (KCl or KOH) in the presence and absence of SO2 was investigated experimentally and through chemical kinetic modeling. Analysis of the calculations indicates that sulfation pathways in the model involving KOSO3 contribute to the overprediction, but both the thermodynamic properties and rate constants in the model involve significant uncertainties and more work is required to reso… more
Date: December 15, 2022
Creator: Chanpirak, Arphaphon; Hashemi, Hamid; Frandsen, Flemming; Wu, Hao; Glarborg, Peter & Marshall, Paul
Item Type: Refine your search to only Article
Partner: UNT College of Science
open access

Chemistry Surrounding Monomeric Copper(l) Methyl, Phenyl, Anilido, Ethoxide, and Phenoxide Complexes Supported by N-Heterocyclic Carbene Ligands: Reactivity Consistent with Both Early and Late Transition Metal Systems

Description: Article on chemistry surrounding monomeric copper(I) methyl, phenyl, anilido, ethoxide, and phenoxide complexes supported by N-heterocyclic carbene ligands.
Date: September 27, 2006
Creator: Goj, Laurel A.; Blue, Elizabeth D.; Delp, Samuel A.; Gunnoe, T. Brent; Cundari, Thomas R., 1964-; Pierpont, Aaron W. et al.
Item Type: Refine your search to only Article
Partner: UNT College of Arts and Sciences
open access

Chlorido(4,4',4''-tri-tert-butyl-2,2':6',2''-terpyridine)platinum(II) chloride toluene monosolvate

Description: In the title compound, [PtCl(C₂₇H₃₅N₃)]Cl·C₇H₈, the Ptᴵᴵ atom is coordinated in a pseudo-square-planar fashion by the N atoms of a 4,4',4''-tri-tert-butyl-2,2':6',2''-terpyridine ligand and a Cl atom.
Date: November 22, 2010
Creator: Batrice, Rami J.; Nesterov, Vladimir N. & Smucker, Bradley W.
Item Type: Refine your search to only Article
Partner: UNT College of Arts and Sciences
open access

Chloring e6 Sensitized Photovoltaic Cells: Effect of Co-Adsorbents on Cell Performance, Charge Transfer Resistance, and Charge Recombination Dynamics

Description: This article investigates the effect of dye-aggregation-preventing co-adsorbents, cholic acid and deoxycholic acid, on the performance of dye-sensitized solar cells constructed using a metal-free sensitizer, chlorin e6 adsorbed onto TiO₂ surface.
Date: unknown
Creator: Lightbourne, Sherard K.S.; Gobeze, Habtom B.; Subbaiyan, Navaneetha K. & D'Souza, Francis
Item Type: Refine your search to only Article
Partner: UNT College of Arts and Sciences
open access

Climate Metrics for C1–C4 Hydrofluorocarbons (HFCs)

Description: This article looks at hydrofluorocarbons (HFCs) which are potent greenhouse gases that are potential substitutes for ozone depleting substances. The Kigali amendment lists 17 HFCs that are currently in commercial use to be regulated under the Montreal Protocol. Future commercial applications may explore the use of other HFCs, most of which currently lack an evaluation of their climate metrics. In this work, atmospheric lifetimes, radiative efficiencies (REs), global warming potentials (GWPs), a… more
Date: May 11, 2020
Creator: Burkholder, James B. (James Bart), 1954-; Marshall, Paul; Bera, Partha P.; Francisco, Joseph S. & Lee, Timothy J.
Item Type: Refine your search to only Article
Partner: UNT College of Science
Back to Top of Screen