1 projets européens trouvés
Recherche sur 125080 projets européens
TERMINÉ
"Effects of temperature, dynamics, and media on magnetic resonance parameters in endohedral fullerenes and confined Xe atom systems." (MRTDM)
Date du début: 1 nov. 2008, Date de fin: 31 oct. 2011,
"Proposal concentrates on applying and testing computational methodology for accurate calculations of magnetic resonance parameters with inclusion of the relevant physical effects, such as electron correlation, relativity, dynamics, temperature, and media effects, in the calculation. This will be done by combination of the electronic structure theory methods with the simulation approaches, such as ...
Voir le projet