Sökning: "Patric Schyman"

Hittade 1 avhandling innehållade orden Patric Schyman.

1. 1. Modeling DNA Damage

   Författare :Patric Schyman; Aatto Laaksonen; Sason Shaik; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; DNA; Ionizing radiation; DNA radicals; Strand break; Hydrogen abstraction; Density Functional Theory; Car-Parrinello Molecular Dynamics; QM MM; Physical chemistry; Fysikalisk kemi; Physical Chemistry; fysikalisk kemi;

   Sammanfattning : In this thesis methods of computational chemistry have been used to examine DNA damaging processes initiated by ionizing radiation, free radicals, or Low-Energy Electrons (LEE). The computational chemistry method based on quantum mechanics that has been mainly used here is the Density Functional Theory (DFT). LÄS MER