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Performance of Density Functional Theory for 3d Transition Metal-Containing Complexes: Utilization of the Correlation Consistent Basis Sets
Article discussing the performance of density functional theory for 3d transition metal-containing complexes and the utilization of the correlation consistent basis sets.
Date:
July 2, 2009
Creator:
Tekarli, Sammer M.; Drummond, Michael L.; Williams, T. Gavin; Cundari, Thomas R., 1964- & Wilson, Angela K.
Object Type:
Article
System:
The UNT Digital Library
Enthalpy of Formation of the Cyclohexadienyl Radical and the C-H Bond Enthalpy of 1,4-Cyclohexadiene: An Experimental and Computational Re-Evaluation
This article discusses the enthalpy of formation of the cyclohexadienyl radical and the C-H bond enthalpy of 1,4-cyclohexadiene.
Date:
June 2, 2009
Creator:
Gao, Yide; DeYonker, Nathan J.; Garrett, E. Chauncey; Wilson, Angela K.; Cundari, Thomas R., 1964- & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Enthalpy of Formation of the Cyclohexadienyl Radical and the C-H Bond Enthalpy of 1,4-Cyclohexadiene: An Experimental and Computational Re-Evaluation
Article on an experimental and computational re-evaluation and the enthalpy of formation of the cyclohexadienyl radical and the C-H bond enthalpy of 1,4-cyclohexadiene.
Date:
June 2, 2009
Creator:
Gao, Yide; DeYonker, Nathan J.; Garrett, E. Chauncey; Wilson, Angela K.; Cundari, Thomas R., 1964- & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
The correlation-consistent composite approach: Implementation of the resolution-of-the-identity approximation
Presentation for the 2009 University Scholars Day at the University of North Texas discussing research on the correlation-consistent composite approach (ccCA) and implementation of the resolution-of-the-identity approximation.
Date:
April 2, 2009
Creator:
Lai, Jeremy; Wilson, Angela K. & Prascher, Brian
Object Type:
Presentation
System:
The UNT Digital Library
DNA Profiling -- Forensics' Secret Weapon: A Work in Progress
Poster presentation for the 2009 University Scholars Day at at the University of North Texas discussing research on DNA profiling and forensics.
Date:
April 2, 2009
Creator:
Tippen, Samantha & Golden, Teresa
Object Type:
Poster
System:
The UNT Digital Library
The Possible Existence of Molecules BrKrCCKrBr and FKrCCKrCCKrF
Presentation for the 2009 University Scholars Day at the University of North Texas discussing research on the possible existence of molecules BrKrCCKrBr and FKrCCKrCCKrF.
Date:
April 2, 2009
Creator:
Shi, Katheryn; Wilson, Angela K. & Wilson, Brent
Object Type:
Presentation
System:
The UNT Digital Library
Activity Coefficients at Infinite Dilution of Organic Compounds in Trihexyl(tetradecyl)phosphonium Bis(trifluoromethylsulfonyl)imide Using Inverse Gas Chromatography
Article on activity coefficients at infinite dilution of organic compounds in trihexyl(tetradecyl)phosphonium Bis(trifluoromethylsulfonyl)imide using inverse gas chromatography.
Date:
February 2, 2009
Creator:
Revelli, Anne-Laure; Sprunger, Laura M.; Gibbs, Jennifer; Acree, William E. (William Eugene); Baker, Gary A. & Mutelet, Fabrice
Object Type:
Article
System:
The UNT Digital Library
Thermochemical Study of Three Hindered Pyridine Derivatives
Article discussing a thermochemical study of three hindered pyridine derivatives.
Date:
July 2, 2008
Creator:
Freitas, Vera L. S.; Acree, William E. (William Eugene) & Silva, Maria D. M. C. Ribeiro da
Object Type:
Article
System:
The UNT Digital Library
A General Treatment of Solubility. 1. The QSPR Correlation of Solvation Free Energies of Single Solutes in Series of Solvents
Article on a general treatment of solubility and the quantitative structure-property relationship (QSPR) correlation of solvation free energies of single solutes in series of solvents.
Date:
October 2, 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