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810 Matching Results
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Surface core-level binding energy shifts for MgO(100)
This article presents theoretical and experimental results for the surface core-level binding energy, BE, shifts, SCLS, for MgO(100) and the anomalous O(1s) SCLS is interpreted in terms of the surface electronic structure.
Date:
July 29, 2014
Creator:
Nelin, Connie J.; Uhl, Felix; Staemmler, Volker; Bagus, Paul S.; Fujimori, Yuichi; Sterrer, Martin et al.
Object Type:
Article
System:
The UNT Digital Library
Accurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with caution
This article discusses potential problems if the widely-applied MP2 approach is used in such situations with basis sets of insufficient size.
Date:
January 29, 2013
Creator:
Goerigk, Lars; Karton, Amir; Martin, Jan M. L. & Radom, Leo
Object Type:
Article
System:
The UNT Digital Library
Crystal structure of (3E,5E)-3,5-bis[4-(diethylazaniumyl)benzylidene]-1-methyl-4-oxopiperidin-1-ium trichloride dihydrate: a potential biophotonic material
This article describes the crystal structure of the title compound, and examines application as an agent for locating cancer cells with two-photon excited fluorescence as as a potential agent for a photodynamic treatment of cancer. This article includes supporting information with computing details of the study.
Date:
November 4, 2015
Creator:
Nesterov, Volodymyr V.; Zakharov, Lev N.; Nesterov, Vladimir N. & Shulaev, Vladimir
Object Type:
Article
System:
The UNT Digital Library
Recent Advances in Photoinduced Electron Transfer Processes of Fullerene-Based Molecular Assemblies and Nanocomposites
This article surveys photosensitized electron-transfer processes of fullerenes hybridized with electron donating or other electron accepting molecules.
Date:
May 8, 2012
Creator:
Ito, Osamu & D'Souza, Francis
Object Type:
Article
System:
The UNT Digital Library
Chloring e6 Sensitized Photovoltaic Cells: Effect of Co-Adsorbents on Cell Performance, Charge Transfer Resistance, and Charge Recombination Dynamics
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:
June 17, 2015
Creator:
Lightbourne, Sherard K.S.; Gobeze, Habtom B.; Subbaiyan, Navaneetha K. & D'Souza, Francis
Object Type:
Article
System:
The UNT Digital Library
Singlet Quenching of Tetraphenylporphyrin and its Metal Derivatives by Iron(III) Coordination Compounds
This article reports on the singlet quenching of 5, 10, 15, 20-tetraphenylporphyrin (H₂TPP) and its magnesium(II) and zinc(II) derivatives (MgTPP and ZnTPP) by a series of iron(III) coordination compounds bearing different ligand systems.
Date:
January 6, 1990
Creator:
D'Souza, Francis & Krishnan, V.
Object Type:
Article
System:
The UNT Digital Library
Buckminsterfullerene, C₆₀: Improved Synthesis, Electron Microscopy, Electron States, Anions and Related Aspects
This article describes the synthesis and characterization of C₆₀, by means of electron microscopy, electron states, cyclic voltammetry and other techniques.
Date:
August 19, 1991
Creator:
Pradeep, T.; D'Souza, Francis; Subbanna, G.N.; Krishnan, V. & Rao, C.N.R.
Object Type:
Article
System:
The UNT Digital Library
Investigation of Structural and Optical Properties of Ag Nanoclusters Formed in Si(100) After Multiple Implantations of Low Energies Ag Ions and Post-Thermal Annealing at a Temperature Below the Ag-Si Eutectic Point
This paper investigates the synthesis of Ag NCs in Si(100) substrate by implanting multiple energies and fluences of Ag ions and subsequent thermal annealing.
Date:
April 2, 2014
Creator:
Dhoubhadel, Mangal; Rout, Bibhudutta; Lakshantha, Wickramaarachchige J.; Das, Sushanta K.; D'Souza, Francis; Glass, Gary A. et al.
Object Type:
Paper
System:
The UNT Digital Library
Comments Concerning Solvent Effects on Chemical Processes. Part 7. Quantitative Description of the Composition Dependence of the Solvent Polarity Measure ET(30) in Binary Aqueous-Organic Solvent Mixtures
This article critically examines a two-step solvational model for mathematically describing the spectral properties of the DImroth-Reichardt betaine dye ET in binary aqueous-organic solvent mixures.
Date:
November 7, 1994
Creator:
Acree, William E. (William Eugene); Powell, Joyce R. & Tucker, Sheryl A. (Sheryl Ann)
Object Type:
Article
System:
The UNT Digital Library
Using Water-Solvent Systems To Estimate In Vivo Blood-Tissue Partition Coefficients
This article discusses water-solvent systems for estimating in vivo blood-tissue partition coefficients.
Date:
October 16, 2015
Creator:
Acree, William E. (William Eugene); Derricott, Caitlin E.; Knight, Emily A. & Lang, Andrew S. I. D.
Object Type:
Article
System:
The UNT Digital Library
Rediscovery of the Elements: The Rare Earths - The Beginnings
This article explores the rare earths, the chemically similar elements that occupy the f-block of the Periodic Table and the Group III chemical family. The articles shows the locations that certain rare earths were originally found. It also gives details on where the elements can be found currently, as well as major production areas. The cover of the Fall 2015 Hexagon journal (Vol. 106, Issue 3) features the Mountain Pass rare earth ore body in Southern California, which is mentioned in the article on pages 40-45 of the journal. A description of the photo on the cover of the journal can be found on page 38.
Date:
Autumn 2015
Creator:
Marshall, James L., 1940- & Marshall, Virginia R.
Object Type:
Article
System:
The UNT Digital Library
Rediscovery of the Elements: The Rare Earths - The Confusing Years
This article gives a timeline of research conducted on the rare earths, 17 elements found in the f-block and Group III chemical family of the Periodic Table. It covers discoveries made after the success of Swedish chemist, Carl Gustaf Mosander. The article describes the categorization of the rare earths that took place after Mosander's time, as well as separation techniques that developed.
Date:
Winter 2015
Creator:
Marshall, James L., 1940- & Marshall, Virginia R.
Object Type:
Article
System:
The UNT Digital Library
Solvation Descriptors for Ferrocene, and the Estimation of Some Physicochemical and Biochemical Properties
Article on solvation descriptors for ferrocene, and the estimation of some physiochemical and biochemical properties.
Date:
September 18, 2000
Creator:
Abraham, M. H. (Michael H.); Benjellou-Dakhama, Nora; Gola, Joelle R. M.; Acree, William E. (William Eugene); Cain, William S. & Cometto-Muñiz, J. Enrique
Object Type:
Article
System:
The UNT Digital Library
Rediscovery of the Elements: Daniel Rutherford, Nitrogen, and the Demise of Phlogiston
Article describing Daniel Rutherford's discovery of nitrogen. The article also details the work of other scientists revolving around the discovery of nitrogen.
Date:
Spring 2015
Creator:
Marshall, James L., 1940- & Marshall, Virginia R.
Object Type:
Article
System:
The UNT Digital Library
Bad Pyrmont Spa
Photo depicts the Bad Pyrmont Spa in western Germany which is known for its therapeutic baths and vapor cave. The paragraph on the bottom of page 70 gives details about the photo and the spa.
Date:
Winter 2015
Creator:
Marshall, James L., 1940- & Marshall, Virginia R.
Object Type:
Article
System:
The UNT Digital Library
20 Mule Team
This photograph from the front cover of an issue of the Hexagon Journal displays the mock 20 mule team that stands outside of the Rio Tinto Borax Museum in Boron, California. The mule team depicts the original mode used to transport the chemical compound, borax, out of Death Valley between 1883 and 1888. A description of the photograph is shown on page 23 of the journal.
Date:
Summer 2015
Creator:
Marshall, James L., 1940- & Marshall, Virginia R.
Object Type:
Clipping
System:
The UNT Digital Library
Rediscovery of the Elements: Sir Humphry Davy and the Alkalis
Article provides information on the history of alkalis, particularly discoveries associated with potassium and sodium. The article also gives information on Humphry Davy, the first person to prepare alkalis in elemental form.
Date:
Summer 2015
Creator:
Marshall, James L., 1940- & Marshall, Virginia R.
Object Type:
Article
System:
The UNT Digital Library
Mechanisms of Radical Removal by SO2
Article on mechanisms of radical removal by SO2.
Date:
January 1, 2007
Creator:
Rasmussen, Christian Lund; Glarborg, Peter & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Ab Initio and Kinetic Modeling Studies of Formic Acid Oxidation
Article on ab initio and kinetic modeling studies of formic acid oxidation.
Date:
2015
Creator:
Marshall, Paul & Glarborg, Peter
Object Type:
Article
System:
The UNT Digital Library
Inhibition of hydrogen oxidation by HBr and Br2
Article on the inhibition of hydrogen oxidation by HBr and Br2.
Date:
September 13, 2011
Creator:
Dixon-Lewis, Graham; Marshall, Paul; Ruscic, Branko; Burcat, Alexander; Goos, Elke; Cuoci, Alberto et al.
Object Type:
Article
System:
The UNT Digital Library
High pressure oxidation of C2H4/NO mixtures
Article on high pressure oxidation of C2H4/NO mixtures.
Date:
2011
Creator:
Lopez, Jorge Gimenez; Alzueta, María U.; Rasmussen, Christian Lund; Marshall, Paul & Glarborg, Peter
Object Type:
Article
System:
The UNT Digital Library
Thermochemical Investigations of Nearly Ideal Binary Solvents. 6. Solubilities of Iodine and Benzil in Systems of Nonspecific Interactions
Article on thermochemical investigations of nearly ideal binary solvents and the solubilities of iodine and benzil in systems of nonspecific interactions.
Date:
February 1, 1983
Creator:
Acree, William E. (William Eugene) & Bertrand, Gary L.
Object Type:
Article
System:
The UNT Digital Library
Descriptors for solutes from the solubility of solids: trans-stilbene as an example
Article on descriptors for solutes from the solubility of solids and trans-stilbene as an example.
Date:
1998
Creator:
Abraham, M. H. (Michael H.); Green, Caroline E.; Acree, William E. (William Eugene); Hernández, Carmen E. & Roy, Lindsay Elizabeth
Object Type:
Article
System:
The UNT Digital Library
Hydrolysis Reactions in Lamellar Liquid Crystalline Media and Octanol/Water Partition Coefficients
Article discussing hydrolysis reactions in lamellar liquid crystalline media and octanol/water partition coefficients.
Date:
1984
Creator:
Bacon, W. E. & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library