Sökning: "Valerie Vallet"

Hittade 2 avhandlingar innehållade orden Valerie Vallet.

1. 1. Modélisation théorique de la spectroscopie d'actinides des solvatés

   Författare :Cecile Danilo; Ulf Wahlgren; Valerie Vallet; Jean-Pierre Flament; Timo Fleig; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Actinides; spectra; solution; Chemical physics; Kemisk fysik; kemisk fysik; Chemical Physics;

   Sammanfattning : The framework of this PhD is the interpretation of Nuclear Magnetic Relaxation Dispersion experiments performed on solvated U4+, NpO2+ and PuO22+, which all have an f2 configuration. Unexpectedly the two actinyl ions have a much higher relaxivity than U4+. LÄS MER

3. 2. Structure and dynamics in solution – the core electron perspective

   Författare :Ida Josefsson; Michael Odelius; Håkan Rensmo; Valérie Vallet; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; quantum chemistry; RASSCF; molecular dynamics; x-ray spectroscopy; electrolyte solutions; fysik; Physics;

   Sammanfattning : This thesis is based on theoretical studies of the molecular and electronic structure of solvated ions and molecules. Very detailed information of the system can be obtained from theoretical calculations, but a realistic model is dependent on an accurate computational method. LÄS MER