UNT College of Arts and Sciences - 305 Matching Results

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Prediction of Toxicity, Sensory Responses and Biological Responses with the Abraham Model

This book chapter discusses the prediction of toxicity, sensory responses and biological responses with the Abraham model.

Date: February 10, 2012

Creator: Acree, William E. (William Eugene); Grubbs, Laura M. & Abraham, M. H. (Michael H.)

Item Type: Book Chapter

open access

Activation of water on the TiO2 (110) surface: The case of Ti adatoms

Article on the activation of water on the TiO2 (110) surface.

Date: February 8, 2012

Creator: Miao, Meng; Liu, Yingchun; Wang, Qi; Wu, Tao; Huang, Liping; Gubbins, Keith E. et al.

Item Type: Article

open access

Electrochemically synthesized polymers in molecular imprinting for chemical sensing

This critical review describes a class of polymers prepared by electrochemical polymerization that employs the concept of molecular imprinting for chemical sensing.

Date: February 3, 2012

Creator: Sharma, Piyush S.; Pietrzyk-Le, Agnieszka; D'Souza, Francis & Kutner, Wlodzimierz

Item Type: Review

open access

Unexpected Structures for Intercalation of Sodium in Epitaxial Graphene-SiC Interfaces

In this paper, the authors show using scanning tunneling microscopy, spectroscopy, and ab initio calculations that several intercalation structures exist for Na in epitaxial graphene on SiC(0001). Intercalation takes place at room temperature and Na electron-dopes the graphene. It intercalates in-between single-layer graphene and the carbon-rich interfacial layer. It also penetrates beneath the interfacial layer and decouples it to form a second graphene layer. This decoupling is accelerated by… more

Date: February 2012

Creator: Sandin, Andreas; Jayasekera, Thushari; Rowe, J. E.; Kim, Ki Wook; Buongiorno Nardelli, Marco & Dougherty, Daniel B.

Item Type: Paper

open access

Rate constant for the reaction C₂H₅ + HBr → C₂H₆ + Br

Article on the rate constant for the reaction C2H5 + HBr → C2H6 + Br.

Date: January 23, 2012

Creator: Golden, David M.; Peng, Jingping; Goumri, Abdellatif; Yuan, Jessie & Marshall, Paul

Item Type: Article

open access

Development of Surface-SFED Models for Polar Solvents

This article discusses the development of surface-SFED models for polar solvents.

Date: January 13, 2012

Creator: Lee, Sehan; Cho, Kwang-Hwi; Acree, William E. (William Eugene) & No, Kyoung Tai

Item Type: Article

open access

Determination of the Solubilizing Character of 1-Methoxyethyl-1-Methylpiperidinium Tris(Pentafluoroethyl)Trifluorophosphate Based on the Abraham Solvation Parameter Model

Article on determination of solubilizing character of 1-methoxyethyl-1-methylpiperidinium tris(pentafluoroethyl) trifluorophosphate based on the Abraham solvation parameter model.

Date: January 2012

Creator: Twu, Pamela; Anderson, Jared L.; Stephens, Timothy W.; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)

Item Type: Article

open access

Recent Foolery in the Periodic Table

Article which satirically claims that several elements on the periodic table were faked.

Date: Winter 2011

Creator: Marshall, James L., 1940- & Marshall, Virginia R.

Item Type: Article

open access

Rediscovery of the Elements: Thallium, Crookes, and Lamy

Article describing the nearly simultaneous discovery of thallium by William Crookes and Claude-August Lamy. Tourist information is included for areas in London, England, and Lille, France, that are significant to the lives of these two men.

Date: Winter 2011

Creator: Marshall, James L., 1940- & Marshall, Virginia R.

Item Type: Article

open access

Carbon-Oxygen Bond Formation via Organometallic Baeyer-Villiger Transformations: A Computational Study on the Impact of Metal Identity

Article discussing a computational study on the impact of metal identity and carbon-oxygen bond formation via organometallic Baeyer-Villiger transformations.

Date: December 20, 2011

Creator: Figg, Travis M.; Webb, Joanna R.; Cundari, Thomas R., 1964- & Gunnoe, T. Brent

Item Type: Article

open access

Correlation of solute partitioning into isooctane from water and from the gas phase based on updated Abraham equations

This article discusses the correlation of solute partitioning into isooctane from water and from the gas phase based on updated Abraham equations.

Date: December 1, 2011

Creator: Stephens, Timothy W.; Wilson, Anastasia; Dabadge, Nishu; Tian, Amy; Zimmerman, Malcolm; Hensley, Hali J. et al.

Item Type: Article

open access

Electron transport properties of bilayer graphene

This article discusses electron transport properties of bilayer graphene.

Date: November 23, 2011

Creator: Li, X.; Borysenko, K. M.; Buongiorno Nardelli, Marco & Kim, Ki Wook

Item Type: Article

open access

Toward Accurate Theoretical Thermochemistry of First Row Transition Metal Complexes

This article uses the recently developed correlation consistent Composite Approach for transition metals to compute the thermochemical properties for a collection of 225 inorganic molecules containing first row (3d) transition metals.

Date: November 22, 2011

Creator: Jiang, Wanyi; DeYonker, Nathan J. & Wilson, Angela K.

Item Type: Article

open access

Mechanistic Studies of Ethylene Hydrophenylation Catalyzed by Bipyridyl Pt(II) Complexes

This article discusses mechanistic studies of ethylene hydrophenylation catalyzed by bipyridyl Pt(II) complexes.

Date: November 8, 2011

Creator: McKeown, Bradley A.; Gonzalez, Hector Emanuel; Friedfeld, Max R.; Gunnoe, T. Brent; Cundari, Thomas R., 1964- & Sabat, Michal

Item Type: Article

open access

Abraham Model Correlations for Transfer of Neutral Molecules and Ions to Sulfolane

Article on Abraham model correlations for the transfer of neutral molecules and ions to sulfolane.

Date: October 15, 2011

Creator: Stephens, Timothy W.; De la Rosa, Nohelli E.; Saifullah, Mariam; Ye, Shulin; Chou, Vicky; Quay, Amanda N. et al.

Item Type: Article

open access

The transfer of neutral molecules, ions and ionic species from water to benzonitrile; comparison with nitrobenzene

Article on the transfer of neutral molecules, ions and ionic species from water to benzonitrile and a comparison with nitrobenzene.

Date: October 15, 2011

Creator: Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)

Item Type: Article

open access

An experimental and computational study of the reaction of ground-state sulfur atoms with carbon disulfide

Article on an experimental and computational study of the reaction of ground-state sulfur atoms with carbon disulfide.

Date: October 12, 2011

Creator: Gao, Yide & Marshall, Paul

Item Type: Article

open access

Current Applications of Computational Chemistry in JACS - Molecules, Mechanisms, and Materials

Article discussing molecules, mechanisms, and materials and current applications of computational chemistry in the Journal of the American Chemical Society (JACS).

Date: September 21, 2011

Creator: Borden, Weston T.

Item Type: Article

open access

Rediscovery of the Elements: Hafnium

Article describing the search for element 72, the scientists involved, and the nationalist politics surrounding the discovery. Tourist information is included for areas significant to the history of hafnium.

Date: Autumn 2011

Creator: Marshall, James L., 1940- & Marshall, Virginia R.

Item Type: Article

open access

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.

Item Type: Article

open access

Abraham model correlations for solute partitioning into o-xylene, m-xylene and p-xylene from both water and the gas phase

Article on Abraham model correlations for solute partitioning into o-xylene, m-xylene and p-xylene from both water and the gas phase.

Date: September 2011

Creator: Stephens, Timothy W.; De la Rosa, Nohelli E.; Saifullah, Mariam; Ye, Shulin; Chou, Vicky; Quay, Amanda N. et al.

Item Type: Article

open access

Predicted thermochemistry and unimolecular kinetics of nitrous sulfide

Article on predicted thermochemistry and unimolecular kinetics of nitrous sulfide.

Date: September 1, 2011

Creator: Marshall, Paul; Gao, Yide & Glarborg, Peter

Item Type: Article

open access

Supporting information for Abraham model correlations for solute partitioning into o-xylene, m-xylene and p-xylene from both water and the gas phase

This document includes supporting information and figures for an article on the Abraham model correlations for solute partitioning into o-xylene, m-xylene and p-xylene from both water and the gas phase.

Date: September 2011

Creator: Stephens, Timothy W.; De la Rosa, Nohelli E.; Saifullah, Mariam; Ye, Shulin; Quay, Amanda N.; Chou, Vicky et al.

Item Type: Text

open access

Correlation of solute transfer into alkane solvents from water and from the gas phase with updated Abraham model equations

This article discusses the correlation of solute transfer into alkane solvents from water and from the gas phase with updated Abraham model equations.

Date: August 25, 2011

Creator: Stephens, Timothy W.; Quay, Amanda N.; Chou, Vicky; Loera, Matthew; Shen, Connie; Wilson, Anastasia et al.

Item Type: Article

UNT College of Arts and Sciences - 305 Matching Results

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Prediction of Toxicity, Sensory Responses and Biological Responses with the Abraham Model

Activation of water on the TiO2 (110) surface: The case of Ti adatoms

Electrochemically synthesized polymers in molecular imprinting for chemical sensing

Unexpected Structures for Intercalation of Sodium in Epitaxial Graphene-SiC Interfaces

Rate constant for the reaction C₂H₅ + HBr → C₂H₆ + Br

Development of Surface-SFED Models for Polar Solvents

Determination of the Solubilizing Character of 1-Methoxyethyl-1-Methylpiperidinium Tris(Pentafluoroethyl)Trifluorophosphate Based on the Abraham Solvation Parameter Model

Recent Foolery in the Periodic Table

Rediscovery of the Elements: Thallium, Crookes, and Lamy

Carbon-Oxygen Bond Formation via Organometallic Baeyer-Villiger Transformations: A Computational Study on the Impact of Metal Identity

Correlation of solute partitioning into isooctane from water and from the gas phase based on updated Abraham equations

Electron transport properties of bilayer graphene

Toward Accurate Theoretical Thermochemistry of First Row Transition Metal Complexes

Mechanistic Studies of Ethylene Hydrophenylation Catalyzed by Bipyridyl Pt(II) Complexes

Abraham Model Correlations for Transfer of Neutral Molecules and Ions to Sulfolane

The transfer of neutral molecules, ions and ionic species from water to benzonitrile; comparison with nitrobenzene

An experimental and computational study of the reaction of ground-state sulfur atoms with carbon disulfide

Current Applications of Computational Chemistry in JACS - Molecules, Mechanisms, and Materials

Rediscovery of the Elements: Hafnium

Inhibition of hydrogen oxidation by HBr and Br2

Abraham model correlations for solute partitioning into o-xylene, m-xylene and p-xylene from both water and the gas phase

Predicted thermochemistry and unimolecular kinetics of nitrous sulfide

Supporting information for Abraham model correlations for solute partitioning into o-xylene, m-xylene and p-xylene from both water and the gas phase

Correlation of solute transfer into alkane solvents from water and from the gas phase with updated Abraham model equations