Sökning: "Mathias P. Ljungberg"

Hittade 1 avhandling innehållade orden Mathias P. Ljungberg.

1. 1. Theoretical modeling of x-ray and vibrational spectroscopies applied to liquid water and surface adsorbates

   Författare :Mathias P. Ljungberg; Lars Pettersson; Shaul Mukamel; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; water; XAS; XES; IR; Raman; Chemical physics; Kemisk fysik; kemisk fysik; Chemical Physics;

   Sammanfattning : This thesis presents results of theoretical modeling of x-ray and vibrational spectroscopies applied to liquid water and to CO adsorbed on a Ni(100) surface. The Reverse Monte Carlo method is used to search for  water structures that reproduce diffraction, IR/Raman and x-ray absorption by fitting them to experimental data and imposed constraints. LÄS MER