Browsing 40-Issue 3 by Subject "Chemistry"

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    • Visual Analysis of Electronic Densities and Transitions in Molecules 

      Masood, Talha Bin; Thygesen, Signe Sidwall; Linares, Mathieu; Abrikosov, Alexei I.; Natarajan, Vijay; Hotz, Ingrid (The Eurographics Association and John Wiley & Sons Ltd., 2021)
      The study of electronic transitions within a molecule connected to the absorption or emission of light is a common task in the process of the design of new materials. The transitions are complex quantum mechanical processes ...