Sökning: "Ulf Brandemark"

Hittade 1 avhandling innehållade orden Ulf Brandemark.

1. 1. Potential surfaces for chemical reactions investigated by accurate quantum chemical methods

   Författare :Ulf Brandemark; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

   Sammanfattning : The main object of the thesis is the investigation of mechanisms for some inorganic and metallo-organic reactions by means of accurate multiconfigurational SCF and configuration interaction calculations. Stepwise dissociation of diimide into N2+H2 is found to be slightly preferred before a concerted mechanism. LÄS MER