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  Partner: UNT College of Arts and Sciences
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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
First-principles investigations of the dielectric properties of polypropylene/metal-oxide interfaces

First-principles investigations of the dielectric properties of polypropylene/metal-oxide interfaces

Date: October 30, 2009
Creator: Yu, Liping; Ranjan, Vivek; Buongiorno Nardelli, Marco & Bernholc, Jerry
Description: Article on first-principles investigations of the dielectric properties of polypropylene/metal-oxide interfaces. Nanoscale-resolved dielectric properties of polypropylene/metal-oxide (alumina, PbTiO₃) interfaces and of the corresponding surfaces are investigated via first-principles calculations.
Contributing Partner: UNT College of Arts and Sciences
First principles theory of artificial metal chains on NiAl(110) surface

First principles theory of artificial metal chains on NiAl(110) surface

Date: July 8, 2005
Creator: Calzolari, Arrigo & Buongiorno Nardelli, Marco
Description: Article on the first principles theory of artificial metal chains on NiAl(110) surface.
Contributing Partner: UNT College of Arts and Sciences
First-Principles Theory of Correlated Transport through Nanojunctions

First-Principles Theory of Correlated Transport through Nanojunctions

Date: March 25, 2005
Creator: Ferretti, A.; Calzolari, Arrigo; Di Felice, R.; Manghi, F.; Caldas, Marilia J.; Buongiorno Nardelli, Marco et al.
Description: Article on the first-principles theory of correlated transport through nanojunctions.
Contributing Partner: UNT College of Arts and Sciences
First-principles theory of metal-alkaline earth oxide interfaces

First-principles theory of metal-alkaline earth oxide interfaces

Date: June 21, 2006
Creator: Nuñez, Matías & Buongiorno Nardelli, Marco
Description: Article on the first-principles theory of metal-alkaline earth oxide interfaces.
Contributing Partner: UNT College of Arts and Sciences
Flavin-Catalyzed Insertion of Oxygen into Rhenium-Methyl Bonds

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.
Description: Article discussing flavin-catalyzed insertion of oxygen into rhenium-methyl bonds.
Contributing Partner: UNT College of Arts and Sciences
A fluctuating environment as a source of periodic modulation

A fluctuating environment as a source of periodic modulation

Date: March 2007
Creator: Bianco, Simone; Grigolini, Paolo & Paradisi, Paolo
Description: Article discussing a fluctuating environment as a source of periodic modulation.
Contributing Partner: UNT College of Arts and Sciences
Fluctuation-dissipation process without a time scale

Fluctuation-dissipation process without a time scale

Date: May 2000
Creator: Annunziato, Mario; Grigolini, Paolo & Riccardi, Juri
Description: Article discussing the fluctuation-dissipation process without a time scale.
Contributing Partner: UNT College of Arts and Sciences
Fluctuation-Dissipation Theorem for Event-Dominated Processes

Fluctuation-Dissipation Theorem for Event-Dominated Processes

Date: July 6, 2007
Creator: Allegrini, Paolo; Bologna, Mauro; Grigolini, Paolo & West, Bruce J.
Description: Article discussing the fluctuation-dissipation theorem for event-dominated processes.
Contributing Partner: UNT College of Arts and Sciences
Fluorescence intermittency in blinking quantum dots: renewal or slow modulation?

Fluorescence intermittency in blinking quantum dots: renewal or slow modulation?

Date: February 2, 2008
Creator: Bianco, Simone; Grigolini, Paolo & Paradisi, Paolo
Description: Article discussing fluorescence intermittency in blinking quantum dots.
Contributing Partner: UNT College of Arts and Sciences