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Reversible Beta-Hydrogen Elimination of Three-Coordinate Iron(II) Alkyl Complexes: Mechanistic and Thermodynamic Studies (open access)

Reversible Beta-Hydrogen Elimination of Three-Coordinate Iron(II) Alkyl Complexes: Mechanistic and Thermodynamic Studies

Article discussing mechanistic and thermodynamic studies and reversible beta-hydrogen elimination of three-coordinate iron(II) alkyl complexes.
Date: October 1, 2004
Creator: Vela, Javier; Vaddadi, Sridhar; Cundari, Thomas R., 1964-; Smith, Jeremy M.; Gregory, Elizabeth A.; Lachicotte, Rene J. et al.
Object Type: Article
System: The UNT Digital Library
A Student-Designed Potentiometric Titration: Quantitative Determination of Iron(II) by Caro's Acid Titration (open access)

A Student-Designed Potentiometric Titration: Quantitative Determination of Iron(II) by Caro's Acid Titration

Article on a student-designed potentiometric titration and a quantitative determination of iron(II) by Caro's acid titration.
Date: October 1, 1996
Creator: Powell, Joyce R.; Tucker, Sheryl A. (Sheryl Ann); Acree, William E. (William Eugene); Sees, Jennifer A. & Hall, Lindsey H.
Object Type: Article
System: The UNT Digital Library
Octanol-Water Partition Coefficients of Substituted α,N-Diphenylnitrones and Benzonitrile N-Oxides (open access)

Octanol-Water Partition Coefficients of Substituted α,N-Diphenylnitrones and Benzonitrile N-Oxides

Article on octanol-water partition coefficients of substituted alpha and N-diphenylnitrones and benzonitrile N-oxides.
Date: October 1, 1985
Creator: Kirchner, James J.; Acree, William E. (William Eugene); Leo, Albert J. & Gelli, Gioanna
Object Type: Article
System: The UNT Digital Library
A General Treatment of Solubility. 2. QSPR Prediction of Free Energies of Solvation of Specified Solutes in Ranges of Solvents (open access)

A General Treatment of Solubility. 2. QSPR Prediction of Free Energies of Solvation of Specified Solutes in Ranges of Solvents

Article on a general treatment of solubility and quantitative structure-property relationship (QSPR) prediction of free energies of solvation of specified solutes in ranges of solvents.
Date: October 1, 2003
Creator: Katritzky, Alan R.; Oliferenko, Alexander A.; Oliferenko, Polina V.; Petrukhin, Ruslan; Tatham, Douglas B.; Maran, Uko, 1966- et al.
Object Type: Article
System: The UNT Digital Library
An ab initio study of the reaction of atomic hydrogen with sulfur dioxide (open access)

An ab initio study of the reaction of atomic hydrogen with sulfur dioxide

Article on an ab initio study of the reaction of atomic hydrogen with sulfur dioxide.
Date: October 1, 1991
Creator: Binns, Derk Douglas & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Surface Tension Calculation of Mixed Solvents with Respect to Solvent Composition and Temperature by Using Jouyban-Acree Model (open access)

Surface Tension Calculation of Mixed Solvents with Respect to Solvent Composition and Temperature by Using Jouyban-Acree Model

Article on the surface tension calculation of mixed solvents with respect to solvent composition and temperature by using Jouyban-Acree model.
Date: October 1, 2004
Creator: Jouyban, Abolghasem; Fathi-Azarbayjani, Anahita & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
The Role of the Glycine Triad in Human Glutathione Synthetase (open access)

The Role of the Glycine Triad in Human Glutathione Synthetase

Article discussing the role of the glycine triad in human glutathione synthetase.
Date: October 1, 2010
Creator: Dinescu, Adriana; Brown, Teresa R.; Barelier, Sarah; Cundari, Thomas R., 1964- & Anderson, Mary E.
Object Type: Article
System: The UNT Digital Library
Cysne et al. Reply (open access)

Cysne et al. Reply

This article is a response to a comment on the authors' original article "Disentangling Orbital and Valley Hall Effects in Bilayers of Transition Metal Dichalcogenides." The authors' response concludes that they do not believe the main points of the original Letter are affected by the Comment.
Date: October 1, 2021
Creator: Cysne, Tarik P.; Costa, Marcio; Canonico, Luis M.; Buongiorno Nardelli, Marco; Muniz, R. B. & Rappoport, Tatiana G.
Object Type: Article
System: The UNT Digital Library
MRI: Acquisition of a High Performance Hybrid Computer Cluster for Computational Modeling (open access)

MRI: Acquisition of a High Performance Hybrid Computer Cluster for Computational Modeling

Data management plan for the grant, "MRI: Acquisition of a High Performance Hybrid Computer Cluster for Computational Modeling." Research grant for the purchase, installation, and operation of a new high-performance computing (HPC) resource, called CRUNTCH4, to be deployed at the University of North Texas’ (UNT) Center for Advanced Scientific Computing and Modeling (CASCaM). This much needed HPC resource combines different computing architectures and significant amounts of data storage, all connected via a high-speed communications fabric. This computing resource will provide the means for CASCaM investigators to continue research on a broad range of topics including quantum chemistry, materials design, biomolecular simulations, machine-learning based chemical discovery, and bioinformatics, among others.
Date: 2021-10-01/2024-09-30
Creator: Cundari, Thomas R., 1964-; Du, Jincheng; Andreussi, Oliviero & Yan, Hao
Object Type: Text
System: The UNT Digital Library