Computational Chemist – DFT Reaction Mechanism

Only for registered members Canada

4 weeks ago

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Job summary

We are seeking support for a pre-synthesis DFT feasibility study.
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Responsibilities

  • Conformational analysis of protonated vs neutral states
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  • DFT modeling of an intramolecular cyclization
  • ,
  • Location of transition states and calculation of activation barriers (ΔG‡)
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