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My main research theme focusses on the development and application of molecular modeling methods to model and predict properties (structural, redox, electronic, magnetic) of radionuclides. The water exchange mechanism for amo2 (h2o)52+ and the isoelectronic uo2 (h2o)5+ and npo2 (h2o)52+ ions has been investigated using quantum chemical methods and compared to previous findings in. How does bending the uranyl unit influence its spectroscopy and luminescence
Revisiting the complexation of cm (iii) with aqueous phosphates Read articles by valérie vallet on sciencedirect, the world's leading source for scientific, technical, and medical research. What can we learn from the complex structures using luminescence spectroscopy and ab initio simulations?
Des échelles atomiques / moléculaires, où les effets quantiques sont prédominants jusqu’à l’échelle nanométrique, nous utilisons des méthodes de chimie et dynamique nucléaire quantique et les combinons avec des méthodes classiques de dynamique moléculaire classique.
Valérie vallet, humboldt research fellowship, technische universität münchen, garching, germany
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