Descriptors for the Prediction of Partition Coefficients and Solubilities of Organophosphorus Compounds (open access)

Descriptors for the Prediction of Partition Coefficients and Solubilities of Organophosphorus Compounds

This article discusses the determination of Abraham descriptors for several series of organophosphorus compounds.
Date: December 19, 2011
Creator: Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
System: The UNT Digital Library
New molecular architectures containing low-valent cluster centres with di- and trimetalated 2-vinylpyrazine ligands: synthesis and molecular structures of Ru5(CO)15(μ5-C4H2N2CH[double bond, length as m-dash]CH)(μ-H)2 and Ru8(CO)24(μ7-C4H2N2CH[double bond, length as m-dash]C)(μ-H)3 (open access)

New molecular architectures containing low-valent cluster centres with di- and trimetalated 2-vinylpyrazine ligands: synthesis and molecular structures of Ru5(CO)15(μ5-C4H2N2CH[double bond, length as m-dash]CH)(μ-H)2 and Ru8(CO)24(μ7-C4H2N2CH[double bond, length as m-dash]C)(μ-H)3

Article details the reaction of Ru3(CO)12 with 2-vinylpyrazine, the aim of which was to synthesize clusters in which all of the donor atoms of the 2-vinylpyrazine ligand participate in bonding to the cluster core.
Date: July 4, 2019
Creator: Hossain, Md. Monir; Akter, Nahid; Ghosh, Shishir; Nesterov, Vladimir N.; Richmond, Michael G.; Hogarth, Graeme et al.
System: The UNT Digital Library
Global Warming Potential Estimates for the C₁–C₃ Hydrochlorofluorocarbons (HCFCs) Included in the Kigali Amendment to the Montreal Protocol (open access)

Global Warming Potential Estimates for the C₁–C₃ Hydrochlorofluorocarbons (HCFCs) Included in the Kigali Amendment to the Montreal Protocol

This article reports global warming potentials (GWPs) for all C₁-C₃ hydrochlorofluorocarbons (HCFCs) based on estimated atmospheric lifetimes and theoretical methods used to calculate infrared absorption spectra.
Date: May 4, 2018
Creator: Papanastasiou, Dimitrios K.; Beltrone, Allison; Marshall, Paul & Burkholder, James B. (James Bart), 1954-
System: The UNT Digital Library
Combined Experimental and Computational Study of TpRu{P(pyr)3} (NCMe)Me (pyr = N-pyrrolyl): Inter- and Intramolecular Activation of C-H Bonds and the Impact of Sterics on Catalytic Hydroarylation of Olefins (open access)

Combined Experimental and Computational Study of TpRu{P(pyr)3} (NCMe)Me (pyr = N-pyrrolyl): Inter- and Intramolecular Activation of C-H Bonds and the Impact of Sterics on Catalytic Hydroarylation of Olefins

This article discusses a combined experimental and computational study of TpRu{P(pyr)3} (NCMe)Me (pyr = N-pyrrolyl).
Date: October 4, 2007
Creator: Foley, Nicholas A.; Lail, Marty; Gunnoe, T. Brent; Cundari, Thomas R., 1964-; Boyle, Paul D. & Petersen, Jeffrey L.
System: The UNT Digital Library
Re-evaluation of rate constants for the reaction N2H4 (+ M) ⇄ NH2 + NH2 (+ M) (open access)

Re-evaluation of rate constants for the reaction N2H4 (+ M) ⇄ NH2 + NH2 (+ M)

Article describes how rate constants for the dissociation/recombination reaction N2H4 (+ M) ⇄ NH2 + NH2 (+ M) are determined by a combination of quantum-chemical calculations and statistical unimolecular rate theory. Implications of the present re-evaluated rate constants for the modeling of high temperature ammonia oxidation kinetics are discussed, showing an only small influence of their precise values on the overall properties of the process.
Date: October 4, 2023
Creator: Cobos, Carlos J.; Glarborg, Peter; Marshall, Paul & Troe, Jürgen
System: The UNT Digital Library
Enhanced Corrosion Resistance and Surface Wettability of PVDF/ZnO and PVDF/TiO2 Composite Coatings: A Comparative Study (open access)

Enhanced Corrosion Resistance and Surface Wettability of PVDF/ZnO and PVDF/TiO2 Composite Coatings: A Comparative Study

Article describes how this study aims to enhance the practical performance of PVDF/ZnO and PVDF/TiO2 composite coatings known for their distinctive properties. The coatings, applied through spray coating with PVDF and ZnO or TiO2 nanoparticles on glass, steel, and aluminum substrates, underwent a comprehensive evaluation.
Date: October 4, 2023
Creator: Mohamed, Adel M. A.; Alateyah, Abdulrahman I.; Hasan, Hosam; Matli, Penchal Reddy; El-Sayed Seleman, Mohamed M.; Ahmed, Essam et al.
System: The UNT Digital Library