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1. 1. Theoretical Studies of Ground and Excited State Reactivity

   Författare :Pooria Farahani; Marcus Lundberg; Hans Karlsson; Isabelle Navizet; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Chemical Reactivity; Computational Chemistry; Dynamics; Ground and Excited States; Chemiluminescence; Atmospheric Chemistry;

   Sammanfattning : To exemplify how theoretical chemistry can be applied to understand ground and excited state reactivity, four different chemical reactions have been modeled. The ground state chemical reactions are the simplest models in chemistry. To begin, a route to break down halomethanes through reactions with ground state cyano radical has been selected. LÄS MER