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Deepa Devarajan
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Deepa Devarajan

Oak Ridge National Laboratory
Building 2040, E358

Oak Ridge , TN 37831-6309


  1. Philipps-Universität Marburg, Germany
  2. PhD in Computational Chemistry.
  3. Bharathidasan University, Tiruchirapalli, India
  4. MSc (Master’s) in Chemistry.



  • Computational Chemistry, small molecule activation, main-group chemistry, homogeneous catalysis, and organic transformations.
  • Structure, dynamics, reactivity and electronic characterization of molecular activation and catalysis involving transition metals and main-group metal complexes.
  • Theoretical and computational modeling of organic, inorganic, organometallic compounds, reaction mechanisms and catalytic cycle.
  • Bonding analysis of the chemical bonds in molecular systems.
  • Heavy elements chemistry.
  • Molecular dynamic simulation of intrinsically disordered proteins.