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  Partner: UNT College of Arts and Sciences
 Department: Chemistry
 Collection: UNT Scholarly Works
An Effective Core Potential Study of Transition-Metal Chalcogenides. 1. Molecular Structure

An Effective Core Potential Study of Transition-Metal Chalcogenides. 1. Molecular Structure

Date: May 1994
Creator: Benson, Michael T.; Cundari, Thomas R., 1964-; Lim, Soon J.; Nguyen, Hoang D. & Pierce-Beaver, Karen
Description: This article discusses an effective core potential study of transition-metal chalcogenides O, S, Se, and Te.
Contributing Partner: UNT College of Arts and Sciences
Effects of covalency on the p-shell photoemission of transition metals: MnO

Effects of covalency on the p-shell photoemission of transition metals: MnO

Date: April 13, 2006
Creator: Bagus, Paul S. & Ilton, Eugene S.
Description: 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.
Contributing Partner: UNT College of Arts and Sciences
Effects of Different Concentrations of Poly(vinyl pyrrolidone) on the Solubility of Lamotrigine and Diazepam in Ethanol + Water Mixtures at 298.2 K

Effects of Different Concentrations of Poly(vinyl pyrrolidone) on the Solubility of Lamotrigine and Diazepam in Ethanol + Water Mixtures at 298.2 K

Date: July 28, 2009
Creator: Soltanpour, Shahla; Acree, William E. (William Eugene) & Jouyban, Abolghasem
Description: Article on the effects of different concentrations of poly(vinyl pyrrolidone) on the solubility of lamotrigine and diazepam in ethanol and water mixtures at 298.2 K.
Contributing Partner: UNT College of Arts and Sciences
Effects of Geminal Methyl Groups on the Tunnelling Rates in the Ring Opening of Cyclopropylcarbinyl Radical at Cryogenic Temperature

Effects of Geminal Methyl Groups on the Tunnelling Rates in the Ring Opening of Cyclopropylcarbinyl Radical at Cryogenic Temperature

Date: 2011
Creator: Zhang, Xue; Hrovat, David A.; Datta, Ayan & Borden, Weston T., 1943-
Description: Article on the effects of geminal methyl groups on the tunnelling rates in the ring opening of cyclopropylcarbinyl radical at cryogenic temperature.
Contributing Partner: UNT College of Arts and Sciences
Electric Field Induced Phase Transitions in Polymers: A Novel Mechanism for High Speed Energy Storage

Electric Field Induced Phase Transitions in Polymers: A Novel Mechanism for High Speed Energy Storage

Date: February 23, 2012
Creator: Ranjan, Vivek; Buongiorno Nardelli, Marco & Bernholc, Jerry
Description: This article discusses electric field induced phase transitions in polymers.
Contributing Partner: UNT College of Arts and Sciences
Electron transport properties of bilayer graphene

Electron transport properties of bilayer graphene

Date: November 23, 2011
Creator: Li, X.; Borysenko, K. M.; Buongiorno Nardelli, Marco & Kim, Ki Wook
Description: This article discusses electron transport properties of bilayer graphene.
Contributing Partner: UNT College of Arts and Sciences
Electronic and Transport Properties of Artificial Gold Chains

Electronic and Transport Properties of Artificial Gold Chains

Date: August 27, 2004
Creator: Calzolari, Arrigo; Cavazzoni, Carlo & Buongiorno Nardelli, Marco
Description: Article on electronic and transport properties of artificial gold chains.
Contributing Partner: UNT College of Arts and Sciences
Electronic properties of the graphene/6H-SiC(0001̅ ) interface: A first-principles study

Electronic properties of the graphene/6H-SiC(0001̅ ) interface: A first-principles study

Date: July 27, 2011
Creator: Jayasekera, Thushari; Xu, Shu; Kim, Ki Wook & Buongiorno Nardelli, Marco
Description: This article discusses electronic properties of the graphene/6H-SiC(0001̅) interface.
Contributing Partner: UNT College of Arts and Sciences
Electronically Unsaturated Three-Coordinate Chloride and Methyl Complexes of Iron, Cobalt, and Nickel

Electronically Unsaturated Three-Coordinate Chloride and Methyl Complexes of Iron, Cobalt, and Nickel

Date: November 8, 2002
Creator: Holland, Patrick L.; Cundari, Thomas R., 1964-; Perez, Lanyn L.; Eckert, Nathan A. & Lachicotte, Rene J.
Description: This article discusses electronically unsaturated three-coordinate chloride and methyl complexes of iron, cobalt, and nickel.
Contributing Partner: UNT College of Arts and Sciences
Energetics of the N-O Bonds in 2-Hydroxyphenazine-di-N-oxide

Energetics of the N-O Bonds in 2-Hydroxyphenazine-di-N-oxide

Date: July 29, 2005
Creator: Gomes, José R. B.; Sousa, Emanuel A.; Gonçalves, Jorge M.; Monte, Manuel J. S.; Gomes, Paula; Pandey, Siddharth et al.
Description: Article on energetics of the N-O bonds in 2-hydroxyphenazine-di-N-oxide.
Contributing Partner: UNT College of Arts and Sciences