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  Partner: UNT College of Arts and Sciences
 Department: Chemistry
 Collection: UNT Scholarly Works
Dissociation of Water on Defective Carbon Substrates

Dissociation of Water on Defective Carbon Substrates

Date: September 23, 2005
Creator: Kostov, Milen; Santiso, Erik; George, A. M.; Gubbins, Keith E. & Buongiorno Nardelli, Marco
Description: Article on the dissociation of water on defective carbon substrates.
Contributing Partner: UNT College of Arts and Sciences
Does Alkyl Substitution Affect the Si-H Bond Strength in Silane? Kinetic Studies of the Reactions of Atomic Chlorine and Bromine with Trimethylsilane and an ab Initio Investigation

Does Alkyl Substitution Affect the Si-H Bond Strength in Silane? Kinetic Studies of the Reactions of Atomic Chlorine and Bromine with Trimethylsilane and an ab Initio Investigation

Date: November 22, 1991
Creator: Ding, Luying & Marshall, Paul
Description: Article on kinetics studies of the reactions of atomic chlorine and bromine with trimethylsilane and an ab initio investigation.
Contributing Partner: UNT College of Arts and Sciences
A Dream of Toasted Cheese, the Bunsen Burner, and Beatrix Potter

A Dream of Toasted Cheese, the Bunsen Burner, and Beatrix Potter

Date: Autumn 2008
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Description: Front cover of The Hexagon, featuring a painting by Beatrix Potter. In the painting, a mouse wearing glasses sits on the intake tube of a lit Bunsen burner and reads a red book. Behind this is a group of unpainted mice using chemistry equipment. "A Dream of Toasted cheese" is written to the left of the burner's flame, and a note concerning NH3 is written to the bottom left. Above these images is the title of the magazine. Above that are pictures concerning other articles. The inside cover features a table of contents, work credits, and an introductory editorial.
Contributing Partner: UNT College of Arts and Sciences
Dynamic Conductance of Carbon Nanotubes

Dynamic Conductance of Carbon Nanotubes

Date: March 27, 2000
Creator: Roland, Christopher; Buongiorno Nardelli, Marco; Wang, Jian & Guo, Hong
Description: Article on dynamic conductance of carbon nanotubes.
Contributing Partner: UNT College of Arts and Sciences
Edmonds et al. Reply

Edmonds et al. Reply

Date: April 8, 2005
Creator: Edmonds, Kevin; Boguslawski, Piotr; Wang, K. Y.; Campion, Richard Paul; Novikov, Sergei; Farley, N. R. S. et al.
Description: This article is a response to an article by M. Adell et al. [Phy. Rev. Lett. 94, 139701 (2005)] about semiconductor-based spintronics research.
Contributing Partner: UNT College of Arts and Sciences
Effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations

Effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations

Date: August 12, 2015
Creator: Varfolomeev, Mikhail A.; Rakipov, Ilnaz T.; Khachatrian, Artashes A.; Acree, William E. (William Eugene); Brumfield, Michela & Abraham, M. H. (Michael H.)
Description: Article on the effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations.
Contributing Partner: UNT College of Arts and Sciences
Effect of Solvent Polarity and Acidity on Fluorescence Emission Fine Structures of Select Aza-Polynuclear Aromatics and Dibenzo[b,n]perylene Hetero-Atom Derivatives

Effect of Solvent Polarity and Acidity on Fluorescence Emission Fine Structures of Select Aza-Polynuclear Aromatics and Dibenzo[b,n]perylene Hetero-Atom Derivatives

Date: 1991
Creator: Tucker, Sheryl A. (Sheryl Ann); Acree, William E. (William Eugene); Tanga, Mary J.; Fetzer, John Charles, 1953-; Tokita, Sumio; Hiruta, Kimihiro et al.
Description: Article on the effect of solvent polarity and acidity on fluorescence emission fine structures of select aza-polynuclear aromatics and dibenzo[b,n]perylene hetero-atom derivatives.
Contributing Partner: UNT College of Arts and Sciences
Effect of Solvent Polarity on the Fluorescence Emission Spectra of Select Five- and Six-Ring Pyrene Derivatives

Effect of Solvent Polarity on the Fluorescence Emission Spectra of Select Five- and Six-Ring Pyrene Derivatives

Date: 1990
Creator: Acree, William E. (William Eugene); Zvaigzne, Anita I. & Fetzer, John C.
Description: Article on the effect of solvent polarity on the fluorescence emission spectra of select five- and six-ring pyrene derivatives.
Contributing Partner: UNT College of Arts and Sciences
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
Elementary reactions and a mechanism for the suppression of hydrogen fires by CF₃I

Elementary reactions and a mechanism for the suppression of hydrogen fires by CF₃I

Date: May 1997
Creator: Marshall, Paul; Misra, Ashutosh; Yuan, Jessie; Berry, Rajiv & McIlroy, Andrew
Description: Paper for the 1997 Halon Options Technical Working Conference (HOTWC). This paper discusses elementary reactions and a mechanism for the suppression of hydrogen fires by CF₃I.
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
Enthalpies of combustion of 2-iodosobenzoic acid and 4-nitrosophenol: the dissociation enthalpy of the I-O bond

Enthalpies of combustion of 2-iodosobenzoic acid and 4-nitrosophenol: the dissociation enthalpy of the I-O bond

Date: December 1, 1999
Creator: Silva, Maria D. M. C. Ribeiro da; Matos, M. Agostinha R.; Ferrão, Maria Luísa C. C. H.; Amaral, Luísa M. P. F.; Miranda, Margarida S.; Acree, William E. (William Eugene) et al.
Description: Article on the enthalpies of combustion of 2-iodosobenzoic acid and 4-nitrosophenol and the dissociation enthalpy of the I-O bond.
Contributing Partner: UNT College of Arts and Sciences
Enthalpies of combustion of four N-phenylmethylene benzenamine N-oxide derivatives, of N-phenylmethylene benzenamine, and of trans-diphenyldiazene N-oxide: the dissociation enthalpy of the (N-O) bonds

Enthalpies of combustion of four N-phenylmethylene benzenamine N-oxide derivatives, of N-phenylmethylene benzenamine, and of trans-diphenyldiazene N-oxide: the dissociation enthalpy of the (N-O) bonds

Date: August 1, 1986
Creator: Kirchner, James J.; Acree, William E. (William Eugene); Pilcher, Geoffrey & Shaofeng, Li
Description: Article on enthalpies of combustion of four N-phenylmethylene benzenamine N-oxide derivatives, of N-phenylmethylene benzenamine, and of trans-diphenyldiazene N-oxide and the dissociation enthalpy of the (N-O) bonds.
Contributing Partner: UNT College of Arts and Sciences
Enthalpies of Sublimation of Organic and Organometallic Compounds. 1910-2001

Enthalpies of Sublimation of Organic and Organometallic Compounds. 1910-2001

Date: June 7, 2002
Creator: Chickos, James S. & Acree, William E. (William Eugene)
Description: Article on enthalpies of sublimation of organic and organometallic compounds.
Contributing Partner: UNT College of Arts and Sciences
Enthalpies of Vaporization of Organic and Organometallic Compounds, 1880-2002

Enthalpies of Vaporization of Organic and Organometallic Compounds, 1880-2002

Date: April 21, 2003
Creator: Chickos, James S. & Acree, William E. (William Eugene)
Description: Article on enthalpies of vaporization of organic and organometallic compounds, 1880-2002.
Contributing Partner: UNT College of Arts and Sciences
Enthalpy of Formation of the Cyclohexadienyl Radical and the C-H Bond Enthalpy of 1,4-Cyclohexadiene: An Experimental and Computational Re-Evaluation

Enthalpy of Formation of the Cyclohexadienyl Radical and the C-H Bond Enthalpy of 1,4-Cyclohexadiene: An Experimental and Computational Re-Evaluation

Date: June 2, 2009
Creator: Gao, Yide; DeYonker, Nathan J.; Garrett, E. Chauncey; Wilson, Angela K.; Cundari, Thomas R., 1964- & Marshall, Paul
Description: This article discusses the enthalpy of formation of the cyclohexadienyl radical and the C-H bond enthalpy of 1,4-cyclohexadiene.
Contributing Partner: UNT College of Arts and Sciences