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Effects of covalency on the p-shell photoemission of transition metals: MnO
This article discusses the effects of covalency on the p-shell photoemission of transition metals. The treatment of covalency has not been included previously in ab initio theoretical studies of the 2p-shell XPS of transition-metal complexes. In this work, covalent interactions between the metal and ligands are treated on an equal footing with spin-orbit splittings.
Date:
April 13, 2006
Creator:
Bagus, Paul S. & Ilton, Eugene S.
Object Type:
Article
System:
The UNT Digital Library
Ruthenium(II)-Mediated Carbon-Carbon Bond Formation between Acetonitrile and Pyrrole: Combined Experimental and Computational Study
This article discusses ruthenium(II)-mediated carbon-carbon bond formation between acetonitrile and pyrrole.
Date:
September 13, 2005
Creator:
Pittard, Karl A.; Cundari, Thomas R., 1964-; Gunnoe, T. Brent; Day, Cynthia S. & Petersen, Jeffrey L.
Object Type:
Article
System:
The UNT Digital Library
The correlation-consistent composite approach: Application to the G3/99 test set
Article discussing research on the correlation consistent composite approach (ccCA) and an application to the G3/99 test set.
Date:
September 13, 2006
Creator:
DeYonker, Nathan J.; Grimes, Thomas V.; Yockel, Scott; Dinescu, Adriana; Mintz, Benjamin; Cundari, Thomas R., 1964- et al.
Object Type:
Article
System:
The UNT Digital Library
Using GIS technology to identify areas of tuberculosis transmission and incidence
This article discusses using GIS technology to identify areas of tuberculosis transmission and incidence.
Date:
October 13, 2004
Creator:
Moonan, Patrick K.; Bayona, Manuel; Quitugua, Teresa N.; Oppong, Joseph R.; Dunbar, Denise; Jost, Kenneth C. et al.
Object Type:
Article
System:
The UNT Digital Library
Supplemental Material: Enthalpy of Solvation Correlations for Gaseous Solutes Dissolved in Benzene and in Alkane Solvents Based on the Abraham Model
This document includes supplemental material to an article titled "Enthalpy of solvation correlations for gaseous solutes dissolved in benzene and in alkane solvents based on the Abraham model," published in QSAR & Combinatorial Science.
Date:
February 13, 2007
Creator:
Mintz, Christina; Clark, Michael; Burton, Katherine; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type:
Text
System:
The UNT Digital Library
Metabolic engineering of proanthocyanidins through co-expression of anthocyanidin reductase and the PAP1 MYB transcription factor
Article on the metabolic engineering of proanthocyanidins through co-expression of anthocyanidin reductase and the PAP1 MYB transcription factor.
Date:
February 13, 2006
Creator:
Xie, De-Yu; Sharma, Shashi B.; Wright, Elane; Wang, Z.-Y. (Zeng-Yu), 1963- & Dixon, R. A.
Object Type:
Article
System:
The UNT Digital Library
Disproportionation of Gold(II) Complexes. A Density Functional Study of Ligand and Solvent Effects
This article discusses disproportionation of gold(II) as an atomic ion as well as with chloride and neutral ligands.
Date:
July 13, 2006
Creator:
Barakat, Khaldoon A.; Cundari, Thomas R., 1964-; Rabaâ, Hassan & Omary, Mohammad A.
Object Type:
Article
System:
The UNT Digital Library
Mechanism and modeling of the formation of gaseous alkali sulfates
Article on the mechanism and modeling of the formation of gaseous alkali sulfates.
Date:
October 13, 2004
Creator:
Glarborg, Peter & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
A theoretical analysis of an alternative CUSUM statistic called CUSUM-slope for detecting signals from background noise in a low signal-to-noise environment
Article accompanying a poster presentation for the 2009 Computational Neuroscience Meeting. This article discusses a theoretical analysis of an alternative CUSUM statistic called CUSUM-slope for detecting signals from background noise in a low signal-to-noise environment.
Date:
July 13, 2009
Creator:
Tam, Nicoladie D.
Object Type:
Article
System:
The UNT Digital Library
A theoretical model of emotion processing for optimizing the cost function of discrepancy errors between wants and gets
Article accompanying a poster presentation for the 2009 Annual Computational Neuroscience Meeting. This article discusses a theoretical model of emotion processing for optimizing the cost function of discrepancy errors between wants and gets.
Date:
July 13, 2009
Creator:
Tam, Nicoladie D.
Object Type:
Article
System:
The UNT Digital Library
Identification of functional information subgraphs in cultured neural networks
This paper accompanies an oral presentation on the identification of functional information subgraphs in cultured neural networks.
Date:
July 13, 2009
Creator:
Gintautas, Vadas; Bettencourt, Luis & Ham, Michael I.
Object Type:
Paper
System:
The UNT Digital Library
GRB 060505: A Possible Short-Duration Gamma-Ray Burst in a Star-Forming Region at a Redshift of 0.09
This article reports the discovery of the GRB optical afterglow and observations of its environment using Gemini South, the Hubble Space Telescope, Chandra, Swift, and the Very Large Array.
Date:
March 13, 2007
Creator:
Ofek, Efran; Cenko, Brad; Gal-Yam, Avishay; Fox, Derek B.; Nakar, Ehud; Rau, Arne et al.
Object Type:
Article
System:
The UNT Digital Library
Process and Apparatus for Energy Storage and Release
Patent regarding a process and apparatus for energy storage and release.
Date:
May 14, 2004
Creator:
Imholt, Timothy; Allara, David L., 1937-; Gnade, Bruce & Roberts, James A.
Object Type:
Patent
System:
The UNT Digital Library
Process for Synthesizing Oil and Surfactant-free Hyaluronic Acid Nanoparticles and Microparticles
Patent relating to a process for synthesizing oil and surfactant-free hyaluronic acid nanoparticles and microparticles.
Date:
November 3, 2004
Creator:
Hu, Zhibing; Xia, Xiaohu & Tang, Liping
Object Type:
Patent
System:
The UNT Digital Library
Different mechanisms for phytoalexin induction by pathogen and wound signals in Medicago truncatula
Article on different mechanisms for phytoalexin induction by pathogen and wound signals in Medicago truncatula.
Date:
September 13, 2007
Creator:
Naoumkina, Marina A.; Farag, Mohamed A.; Sumner, Lloyd W.; Tang, Yuhong; Liu, Chang-Jun & Dixon, R. A.
Object Type:
Article
System:
The UNT Digital Library
Regiospecific hydroxylation of isoflavones by cytochrome P450 81E enzymes from Medicago truncatula
Article on regiospecific hydroxylation of isoflavones by cytochrome P450 81E enzymes from Medicago truncatula.
Date:
October 13, 2003
Creator:
Liu, Chang-Jun; Huhman, David; Sumner, Lloyd W. & Dixon, R. A.
Object Type:
Article
System:
The UNT Digital Library
Experimental Thermochemical Study of 6-Chloro-2,3-dimethylquinoxaline 1,4-dioxide and DFT evaluation of the N-O bond enthalpies in related haloquinoxalines
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Use of this item is restricted to the UNT Community
Article discussing an experimental thermochemical study of 6-chloro-2,3-dimethylquinoxaline 1,4-dioxide and DFT evaluation of the N-O bond enthalpies in related haloquinoxalines.
Date:
September 13, 2007
Creator:
Gomes, José R. B.; Vieira, Mónica A. A.; Stovall, Dawn M.; Acree, William E. (William Eugene) & Silva, Maria D. M. C. Ribeiro da
Object Type:
Article
System:
The UNT Digital Library
Partition of solutes from the gas phase and from water to wet and dry di-n-butyl ether: a linear free energy relationship analysis
Article on the partition of solutes from the gas phase and from water to wet and dry di-n-butyl ether and a linear free energy relationship analysis.
Date:
August 13, 2001
Creator:
Abraham, M. H. (Michael H.); Zissimos, Andreas M. & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library