Through-Bond Interactions in the Diradical Intermediates Formed in the Rearrangements of Bicyclo[n.m.0]alkatetraenes (open access)

Through-Bond Interactions in the Diradical Intermediates Formed in the Rearrangements of Bicyclo[n.m.0]alkatetraenes

Article on through-bond interactions in the diradical intermediates formed in the rearrangements of bicyclo[n.m.0]alkatetraenes.
Date: September 24, 2010
Creator: Lovitt, Charity Flener; Dong, Hao; Hrovat, David A.; Gleiter, Rolf & Borden, Weston T.
System: The UNT Digital Library
Experimental Evidence for Heavy-Atom Tunneling in the Ring-Opening of Cyclopropylcarbinyl Radical from Intramolecular 12C/13C Kinetic Isotope Effects (open access)

Experimental Evidence for Heavy-Atom Tunneling in the Ring-Opening of Cyclopropylcarbinyl Radical from Intramolecular 12C/13C Kinetic Isotope Effects

Article on experimental evidence for heavy-atom tunneling in the ring-opening of cyclopropylcarbinyl radical from intramolecular 12C/13C kinetic isotope effects.
Date: August 19, 2010
Creator: Gonzalez-James, Ollie M.; Zhang, Xue; Datta, Ayan; Hrovat, David A.; Singleton, Daniel A. & Borden, Weston T.
System: The UNT Digital Library
First-Principles-Based Kinetic Monte Carlo Simulation of Nitric Oxide Reduction over Platinum Nanoparticles under Lean-Burn Conditions (open access)

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

This article discusses first-principles-based kinetic Monte Carlo simulation of Nitric Oxide reduction.
Date: September 16, 2010
Creator: Mei, Donghai; Du, Jincheng & Neurock, Matthew
System: The UNT Digital Library
Cyclooctatetraenes Tetrakis-Annelated with α-Dithio- or α-Diselenocarbonyl Groups: Diradicals Predicted To Have Ground States with 10 π Electrons in the Eight-Membered Ring and Two-Center, Three-Electron, σ Bonds between Two Pairs of Chalcogen Atoms (open access)

Cyclooctatetraenes Tetrakis-Annelated with α-Dithio- or α-Diselenocarbonyl Groups: Diradicals Predicted To Have Ground States with 10 π Electrons in the Eight-Membered Ring and Two-Center, Three-Electron, σ Bonds between Two Pairs of Chalcogen Atoms

Article on cyclooctatetraenes tetrakis-annelated with α-dithio- or α-diselenocarbonyl groups.
Date: February 12, 2010
Creator: Zhou, Xin; Hrovat, David A. & Borden, Weston T.
System: The UNT Digital Library
Calculations Predict That Carbon Tunneling Allows the Degenerate Cope Rearrangement of Semibullvalene to Occur Rapidly at Cryogenic Temperatures (open access)

Calculations Predict That Carbon Tunneling Allows the Degenerate Cope Rearrangement of Semibullvalene to Occur Rapidly at Cryogenic Temperatures

Article on calculations predicting that carbon tunneling allows the degenerate cope rearrangement of semibullvalene to occur rapidly at cryogenic temperatures.
Date: May 27, 2010
Creator: Zhang, Xue; Hrovat, David A. & Borden, Weston T.
System: The UNT Digital Library
On the mechanism for plasma hydrogenation of graphene (open access)

On the mechanism for plasma hydrogenation of graphene

This article discusses the mechanism for plasma hydrogenation of graphene.
Date: December 6, 2010
Creator: Jones, Jason D.; Hoffmann, William D.; Jesseph, Aaron V.; Morris, Christopher; Verbeck, Guido F. & Pérez, José M.
System: The UNT Digital Library
Periodic and Molecular Modeling Study of Donor - Acceptor Interactions in (dbbpy)Pt(tdt) • TENF and [Pt(dbbpy)(tdt)]₂ • TENF (open access)

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

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).
Date: January 15, 2010
Creator: Cundari, Thomas R., 1964-; Chilukuri, Bhaskar; Hudson, Joshua M.; Minot, Christian; Omary, Mohammad A. & Rabaâ, Hassan
System: The UNT Digital Library
Flavin-Catalyzed Insertion of Oxygen into Rhenium-Methyl Bonds (open access)

Flavin-Catalyzed Insertion of Oxygen into Rhenium-Methyl Bonds

Article discussing flavin-catalyzed insertion of oxygen into rhenium-methyl bonds.
Date: July 24, 2010
Creator: Pouy, Mark J.; Milczek, Erika M.; Figg, Travis M.; Otten, Brooke M.; Prince, Bruce M.; Gunnoe, T. Brent et al.
System: The UNT Digital Library
A Two-Coordinate Nickel Imido Complex That Effects C-H Amination (open access)

A Two-Coordinate Nickel Imido Complex That Effects C-H Amination

This article discusses a two-coordinate nickel imido complex that effects C-H amination.
Date: December 22, 2010
Creator: Laskowski, Carl A.; Miller, Alexander J.M.; Hillhouse, Gregory L. & Cundari, Thomas R., 1964-
System: The UNT Digital Library
Net Hydrogenation of Pt-NHPh Bond Is Catalyzed by Elemental Pt (open access)

Net Hydrogenation of Pt-NHPh Bond Is Catalyzed by Elemental Pt

This article discusses the net hydrogenation of Pt-NHPh bond catalyzed by elemental Pt.
Date: March 11, 2010
Creator: Webb, Joanna R.; Pierpont, Aaron W.; Munro-Leighton, Colleen; Gunnoe, T. Brent; Cundari, Thomas R., 1964- & Boyle, Paul D.
System: The UNT Digital Library
Modified embedded atom method study of the mechanical properties of carbon nanotube reinforced nickel composites (open access)

Modified embedded atom method study of the mechanical properties of carbon nanotube reinforced nickel composites

Article on a modified embedded atom method study of the mechanical properties of carbon nanotube reinforced nickel composites.
Date: March 11, 2010
Creator: Uddin, Jamal; Baskes, Michael I.; Srivilliputhur, Srinivasan; Cundari, Thomas R., 1964- & Wilson, Angela K.
System: The UNT Digital Library
Rediscovery of the Elements: Soddy and Isotopes (open access)

Rediscovery of the Elements: Soddy and Isotopes

Article describing Frederick Soddy's career and research of isotopes. Tourist information is included for areas significant to Soddy's life and work.
Date: Winter 2010
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
System: The UNT Digital Library
Statue of Leonardo da Vinci (open access)

Statue of Leonardo da Vinci

Front page of the Fall 2010 issue of The Hexagon, which features a stone statue of Leonardo da Vinci next to three photographs from articles. The inside cover has a table of contents, a list of staff, an editorial, and a description of the cover.
Date: Autumn 2010
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
System: The UNT Digital Library
Rediscovery of the Elements: Moseley and Atomic Numbers (open access)

Rediscovery of the Elements: Moseley and Atomic Numbers

Article describing the career of Henry Moseley and his findings regarding atomic numbers. Tourist information is included for areas relevant to Moseley.
Date: Autumn 2010
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
System: The UNT Digital Library
Rediscovery of the Elements: Madam Curie (open access)

Rediscovery of the Elements: Madam Curie

Article describing the career of Marie Curie and the discovery of polonium and radium. Tourist information regarding the areas where the Curies were most active are included.
Date: Spring 2010
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
System: The UNT Digital Library
Rediscovery of the Elements: Rutherford and Radon (open access)

Rediscovery of the Elements: Rutherford and Radon

Article describing the history of the discovery of radon. Tourist information is included for areas significant to radon and its discoverers.
Date: Summer 2010
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
System: The UNT Digital Library
Foucault's Pendulum (open access)

Foucault's Pendulum

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.
Date: Summer 2010
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
System: The UNT Digital Library
Youth in Apuseni Mountains, Romania, Near the Discovery Site of Tellurium (open access)

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

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.
Date: Spring 2010
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
System: The UNT Digital Library
Rediscovering the Periodic Table, One Element at a Time (open access)

Rediscovering the Periodic Table, One Element at a Time

Article describing James and Virginia Marshall's quest to visit the birthplace of all the elements on the periodic table. The article mentions that they have released a DVD and were interviewed on "Here and Now."
Date: Autumn 2010
Creator: unknown
System: The UNT Digital Library
Die Köpfe (The Heads) (open access)

Die Köpfe (The Heads)

Front cover of the winter 2010 issue of the Hexagon, which features a sculpture of a bearded head. The inside cover includes a table of contents, a list of staff, an editorial, and a description of the cover.
Date: Winter 2010
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
System: The UNT Digital Library
Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds. Sublimation, Vaporization and Fusion Enthalpies From 1880 to 2010 (open access)

Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds. Sublimation, Vaporization and Fusion Enthalpies From 1880 to 2010

Article on phase transition enthalpy measurements of organic and organometallic compounds, sublimation, and vaporization and fusion enthalpies from 1880 to 2010.
Date: October 4, 2010
Creator: Acree, William E. (William Eugene) & Chickos, James S.
System: The UNT Digital Library
Cation-specific and anion-specific Abraham model correlations for solute transfer into ionic liquid solvents (open access)

Cation-specific and anion-specific Abraham model correlations for solute transfer into ionic liquid solvents

Article discussing research on cation-specific and anion-specific Abraham model correlations for solute transfer into ionic liquid solvents.
Date: August 2010
Creator: Grubbs, Laura M.; Saifullah, Mariam; De la Rosa, Nohelli E.; Acree, William E. (William Eugene); Abraham, M. H. (Michael H.); Zhao, Qichao et al.
System: The UNT Digital Library
The Biological and Toxicological Activity of Gases and Vapors (open access)

The Biological and Toxicological Activity of Gases and Vapors

Article discussing research on the biological and toxicological activity of gases and vapors.
Date: March 2010
Creator: Abraham, M. H. (Michael H.); Sánchez-Moreno, Ricardo; Gil-Lostes, Javier; Acree, William E. (William Eugene); Cometto-Muñiz, J. Enrique & Cain, William S.
System: The UNT Digital Library
Development of correlations for describing solute transfer into acyclic alcohol solvents based on the Abraham model and fragment-specific equation coefficients (open access)

Development of correlations for describing solute transfer into acyclic alcohol solvents based on the Abraham model and fragment-specific equation coefficients

This article discusses the development of correlations for describing solute transfer into acyclic alcohol solvents based on the Abraham model and fragment-specific equation coefficients.
Date: January 25, 2010
Creator: Sprunger, Laura M.; Achi, Sai S.; Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
System: The UNT Digital Library