Concept

Configuration électronique

Publications associées (321)

Enantiopure helical (supra)molecular arrays containing lanthanides

The diastereoselective synthesis of chiral coordination compounds with d metals proved the effectiveness of the pinene-bipyridine approach in predetermining the chirality at the metal centre. The strong Lewis acidic character of lanthanide cations required ...

EPFL2006

Electronic structure and exchange interactions of Na2V3O7

Frédéric Mila

We have performed first-principle calculations of the electronic structure and exchange couplings for the nanotube compound Na2V3O7 using the local-density approximation Hubbard parameter U approach. Our results show that while the intraring exchange inter ...

2006

Scanning Reactive Pathways with Orbital Biased Molecular Dynamics

Ursula Röthlisberger, Leonardo Guidoni

To accelerate reactive events in mol. dynamics simulations we introduce a general bias potential scheme which depends only on the electronic degrees of freedom of the reactive system. This electronic reaction coordinate, which is expressed in terms of a pe ...

2005

Neutral metallomacrocycles with four or ten (PEt3)Pd(II) centers

Kay Severin, Thomas Brasey

The reaction of (Et3P)PdCl2 with 2,3-dihydroxypyridine, 5-chloro-2,3,-dihydroxypyridine, or 2-hydroxynicotinic acid in the presence of base gives neutral, metallomacrocyclic compounds in which the heterocycles act as dianionic, bridging ligands. The m ...

2005

Importance of the MUSE experiments for emerging ADS concepts from the nuclear data viewpoint

Rakesh Chawla, Michaël Plaschy, Gérald Rimpault

The current investigation, conducted in the general framework of the MUSE program ("MUltiplication avec une Source Externe"), considers the representativity of a specific configuration of its fourth phase (M4SC2), which is driven by an external D(d,n)He3 o ...

Elsevier2005

Intermediate valence behaviour under pressure: how precisely can we probe it by means of resonant inelastic x-ray emission?

Marco Grioni

Rare earths and their compounds show many interesting physical phenomena caused by the complex electronic structure related to f electrons. External pressure can affect the hybridization between 5d band electrons and the more atomic-like 4f ones, giving ri ...

Institute of Physics2005

Etude par STM de la déposition d'agrégats d'or sur TiO2 et mesure de l'émission électronique secondaire induite par l'impact d'agrégats sur une surface

Pierre Convers

This thesis work focuses on impact and diffusion processes as well as equilibrium positions of a metal deposited on a surface. The metal is deposited in the form of clusters containing n atoms in a controlled way. Gold or silver clusters cations (Au+n and ...

EPFL2005

The influence of Ti doping methods on the high field performance of (Nb, Ta, Ti)3Sn multifilamentary wires using Osprey bronze

Philippe Buffat, Marco Cantoni, Davide Uglietti

We have analyzed the influence of the two different Ti doping methods on the superconducting properties of bronze processed (Nb,Ta,Ti)3Sn multifilamentary wires with identical configuration, consisting of a Nb7.5wt.%Ta alloy processed to 14641 filaments of ...

2005

The effect of field reversal on the JET MkIIGB-SRP divertor performance in L-mode density limit discharges

Richard Pitts

The effect of field reversal on the JET MkIIGB-SRP divertor performance has been investigated in L-mode density limit discharges. These experiments show that the direction of the magnetic field has a substantial effect on divertor physics, modifying the ch ...

2005

Generalized model of planar SOFC repeat element for design optimization

François Maréchal, Daniel Favrat, Jan Van Herle, Diego Larrain

A model for planar solid oxide fuel cell repeat elements and stacks has been developed. Distribution of concentrations, reaction rates and temperatures (both gases and solids) are computed as well as overall performance results. Specific experiments provid ...

Elsevier2004

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