Publications related to Electron configuration

Palladium-Catalyzed Through-Space C(sp3)-H and C(sp2)-H Bond Activation by 1,4-Palladium Migration: Efficient Synthesis of [3,4]- Fused Oxindoles

Qian Wang, Jieping Zhu, Ala Bunescu

Palladium two step: Linear anilides were converted into the title compounds in good to excellent yields through a palladium-catalyzed domino carbopalladation/1,4-palladium shift sequence. The C(sp3)-H activation involves a seven-membered palladacycle, and ...

Wiley-Blackwell2013

Direct View of Hot Carrier Dynamics in Graphene

Marco Grioni, Alberto Crepaldi, Jens Christian Johannsen

The ultrafast dynamics of excited carriers in graphene is closely linked to the Dirac spectrum and plays a central role for many electronic and optoelectronic applications. Harvesting energy from excited electron-hole pairs, for instance, is only possible ...

American Physical Society2013

On the Nature of Interactions of Radicals with Polar Molecules

Jeremy Samuel Arey, Peter Rudolf Tentscher

Solvated radicals play an important role in many areas of chemistry, but to date, the nature of their interactions with polar solvent molecules lacks chemical interpretation. We present a computational quantum chemical analysis of the binding motives of bi ...

American Chemical Society2013

Evidence of reduced surface electron-phonon scattering in the conduction band of Bi2Se3 by nonequilibrium ARPES

Klaus Kern, Marco Grioni, Helmuth Berger, Philippe Bugnon, Alberto Crepaldi, Jens Christian Johannsen

The nature of the Dirac quasiparticles in topological insulators calls for a direct investigation of the electron-phonon scattering at the surface. By comparing time-resolved ARPES measurements of the topological insulator Bi2Se3 with different probing dep ...

Amer Physical Soc2013

Surface morphology of MnSi thin films grown on Si(111)

Klaus Kern, Theresa Lutz, Giovanni Costantini

The surface morphology of MnSi thin films grown on Si(111)-7 x 7 substrates was investigated by systematically changing the amount of deposited Mn. A new 3 x 3 surface reconstruction was found at the very initial growth stages, whose atomic configuration w ...

Elsevier Science Bv2013

Global gyrokinetic simulations of TEM microturbulence

Laurent Villard, Stephan Brunner, Alberto Bottino, Sébastien Jolliet, Ben McMillan, Thibaut Vernay

Global gyrokinetic simulations of electrostatic temperature-gradient-driven trapped-electron-mode (TEM) turbulence using the delta f particle-in-cell code ORB5 are presented. The electron response is either fully kinetic or hybrid, i.e. considering kinetic ...

Iop Publishing Ltd2013

Critical Evaluation of Implicit Solvent Models for Predicting Aqueous Oxidation Potentials of Neutral Organic Compounds

Jeremy Samuel Arey, Jennifer Guerard

Quantum chemical implicit solvent models are used widely to estimate aqueous redox potentials. We compared the accuracy of several popular implicit solvent models (SM8, SMD, C-PCM, IEF-PCM, and COSMO-RS) for the prediction of aqueous single electron oxidat ...

Amer Chemical Soc2013

First-principles study of H adsorption on graphene/SiC(0001)

Alfredo Pasquarello, Gabriele Sclauzero

The adsorption of atomic H above the carbon buffer layer in the graphene/SiC(0001) interface system is investigated within density functional theory through a set of realistic interface models that do not impose large artificial strains on the graphene. We ...

Wiley-Blackwell2013

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Electron configuration

Palladium-Catalyzed Through-Space C(sp3)-H and C(sp2)-H Bond Activation by 1,4-Palladium Migration: Efficient Synthesis of [3,4]- Fused Oxindoles

Direct View of Hot Carrier Dynamics in Graphene

On the Nature of Interactions of Radicals with Polar Molecules

Evidence of reduced surface electron-phonon scattering in the conduction band of Bi2Se3 by nonequilibrium ARPES

Surface morphology of MnSi thin films grown on Si(111)

Electron energy loss spectroscopy investigation through a nano ablated uranium dioxide sample

Facile multifunctional plasmonic sunlight harvesting with tapered triangle nanopatterning of thin films

Global gyrokinetic simulations of TEM microturbulence

Critical Evaluation of Implicit Solvent Models for Predicting Aqueous Oxidation Potentials of Neutral Organic Compounds

First-principles study of H adsorption on graphene/SiC(0001)

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Chat with Graph Search

Palladium-Catalyzed Through-Space C(sp3)-H and C(sp2)-H Bond Activation by 1,4-Palladium Migration: Efficient Synthesis of [3,4]- Fused Oxindoles

Evidence of reduced surface electron-phonon scattering in the conduction band of Bi2Se3 by nonequilibrium ARPES

Direct View of Hot Carrier Dynamics in Graphene

On the Nature of Interactions of Radicals with Polar Molecules

Surface morphology of MnSi thin films grown on Si(111)

Electron energy loss spectroscopy investigation through a nano ablated uranium dioxide sample

First-principles study of H adsorption on graphene/SiC(0001)

Critical Evaluation of Implicit Solvent Models for Predicting Aqueous Oxidation Potentials of Neutral Organic Compounds

Facile multifunctional plasmonic sunlight harvesting with tapered triangle nanopatterning of thin films

Global gyrokinetic simulations of TEM microturbulence