You limited your search to:

  Partner: UNT College of Arts and Sciences
 Department: Chemistry
 Decade: 2010-2019
First-Principles-Based Kinetic Monte Carlo Simulation of Nitric Oxide Reduction over Platinum Nanoparticles under Lean-Burn Conditions

First-Principles-Based Kinetic Monte Carlo Simulation of Nitric Oxide Reduction over Platinum Nanoparticles under Lean-Burn Conditions

Date: 2010
Creator: Mei, Donghai; Du, Jincheng & Neurock, Matthew
Description: This article discusses first-principles-based kinetic Monte Carlo simulation of Nitric Oxide reduction.
Contributing Partner: UNT College of Arts and Sciences
Selectivity and Mechanism of Hydrogen Atom Transfer by an Isolable Imidoiron (III) Complex

Selectivity and Mechanism of Hydrogen Atom Transfer by an Isolable Imidoiron (III) Complex

Date: May 12, 2011
Creator: Cowley, Ryan E.; Eckert, Nathan A.; Vaddadi, Sridhar; Figg, Travis M.; Cundari, Thomas R., 1964- & Holland, Patrick L.
Description: This article discusses a mechanistic study of hydrogen atom transfer by an isolable iron (III) imido complex, LᴹᵉFeNAd (Lᴹᵉ = bulky β-diketiminate ligand, 2,4-bis(2,6-diisopropylphenylimido)pentyl; Ad = 1-adamantyl).
Contributing Partner: UNT College of Arts and Sciences
Periodic and Molecular Modeling Study of Donor - Acceptor Interactions in (dbbpy)Pt(tdt) • TENF and [Pt(dbbpy)(tdt)]₂ • TENF

Periodic and Molecular Modeling Study of Donor - Acceptor Interactions in (dbbpy)Pt(tdt) • TENF and [Pt(dbbpy)(tdt)]₂ • TENF

Date: January 15, 2010
Creator: Cundari, Thomas R., 1964-; Chilukuri, Bhaskar; Hudson, Joshua M.; Minot, Christian; Omary, Mohammad A. & Rabaâ, Hassan
Description: This article discusses a periodic and molecular modeling study. Supramolecular stacked materials (dbbpy)Pt(tdt)•TENF and [Pt(dbbpy)(tdt)]₂•TENF are built from (dbbpy)Pt(tdt) donors (D) with TENF acceptors (A) (TENF = 2,4,5,7-tetranitro-9-fluorenone; dbbpy = 4,4'-di-tert-butyl-2,2'-bipyridine; tdt = 3,4-toluenedithiolate).
Contributing Partner: UNT College of Arts and Sciences
 A group contribution model for determining the sublimation enthalpy of organic compounds at the standard reference temperature of 298 K

A group contribution model for determining the sublimation enthalpy of organic compounds at the standard reference temperature of 298 K

Date: June 21, 2013
Creator: Gharagheizi, Farhad; Ilani-Kashkouli, Poorandokht; Acree, William E. (William Eugene); Mohammadi, Amir H. & Ramjugernath, Deresh
Description: Article discussing a group contribution model for determining the sublimation enthalpy of organic compounds at the standard reference temperature of 298 K.
Contributing Partner: UNT College of Arts and Sciences
Mechanistic Studies of Ethylene Hydrophenylation Catalyzed by Bipyridyl Pt(II) Complexes

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
Description: This article discusses mechanistic studies of ethylene hydrophenylation catalyzed by bipyridyl Pt(II) complexes.
Contributing Partner: UNT College of Arts and Sciences
[Review] Computational Inorganic and Bioinorganic Chemistry

[Review] Computational Inorganic and Bioinorganic Chemistry

Date: April 28, 2010
Creator: Cundari, Thomas R., 1964-
Description: This book review discusses 'Computational Inorganic and Bioinorganic Chemistry', edited by Edward I. Solomon from Stanford University, Robert A. Scott from the University of Georgia Athens, and R. Bruce King from the University of Georgia Athens.
Contributing Partner: UNT College of Arts and Sciences
Foucault's Pendulum

Foucault's Pendulum

Date: Summer 2010
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Description: Front cover of the Summer 2010 issue of The Hexagon featuring Foucault's pendulum in the Panthéon of Paris, France. A large weight hangs from the ceiling over a circular table with degrees written onto its surface. A round fence with hash marks and numbers surrounds the display. Columns and a raised statue of men are visible in the background. The inside cover features a table of contents, staff list, an editorial, and a description of the front cover.
Contributing Partner: UNT College of Arts and Sciences
The Gas That Wouldn't Burn

The Gas That Wouldn't Burn

Date: Summer 2012
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Description: Article describing how Alpha Chi Sigma members were involved with the events described on a pictured Kansas historical marker relating to the discovery of helium in a deposit of natural gas.
Contributing Partner: UNT College of Arts and Sciences
Unexpected Structures for Intercalation of Sodium in Epitaxial Graphene-SiC Interfaces

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

Date: February 2012
Creator: Sandin, Andreas; Jayasekera, Thushari; Rowe, J. E.; Kim, Ki Wook; Buongiorno Nardelli, Marco & Dougherty, Daniel B.
Description: 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 annealing and is verified by direct Na deposition onto the interface layer. The authors' observations show that intercalation in graphene is fundamentally different than in graphite and is a versatile means of electronic control.
Contributing Partner: UNT College of Arts and Sciences
Youth in Apuseni Mountains, Romania, Near the Discovery Site of Tellurium

Youth in Apuseni Mountains, Romania, Near the Discovery Site of Tellurium

Date: Spring 2010
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Description: Front cover of the Spring 2010 issue of The Hexagon, featuring an adolescent boy wearing a sweater, corduroy pants, and boots while holding a lamb across his shoulders. He looks at the camera while standing in a bare patch of earth with grass and fallen branches behind him. To his left appear three round pictures relating to this issue's articles. The inside cover contains a table of contents, staff listings, and an editorial.
Contributing Partner: UNT College of Arts and Sciences
FIRST PREV 1 2 3 4 5 NEXT LAST