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Doctoral Research Fellow

Marc Obst

Doctoral Research Fellow
Department of Chemistry

Job description:

I am Phd student in computational chemistry investigating reaction mechanism. This work involves the search of intermdiates and transition states (TS) of reactions to predict their likelyhood to occur and what the most important steps are. The obtained understanding of the reaction mechanism can be used to improve the experimental reaction condition.

 

 




Research interests

  • Transition-metal catalysed reaction mechanisms
  • Carboxylation reactions with CO2
  • Density functional theory (DFT)
  • ab-initio Molecular dynamics (AIMD)
  • Coupled-cluster (CC)

Publications in CRIStin


  • Gevorgyan, Ashot; Obst, Marc; Guttormsen, Yngve; Maseras, Feliu; Hopmann, Kathrin Helen; Bayer, Annette. Caesium Fluoride-Mediated Hydrocarboxylation of Alkenes and Allenes: Scope and Mechanistic Insights. Chemical Science 2019. ISSN 2041-6520.s doi: 10.1039/C9SC02467K.

  • Obst, Marc Ferry; Pavlovic, Ljiljana; Hopmann, Kathrin Helen. Carbon-carbon bonds with CO2: Insights from computational studies. (prosjekt) Journal of Organometallic Chemistry 2018; Volum 864. ISSN 0022-328X.s 115 - 127.s doi: 10.1016/j.jorganchem.2018.02.020.