After successful completion of the course, students are able to describe advanced concepts of theoretical chemistry and discuss topics like calculation of reaction mechanisms, transition states, molecular properties, and molecular dynamics.

MO theory, calculation of reaction mechanisms and transition states, calculation of molecular properties, molecular dynamics.

• Lectures about foundations of MO Theory, calculation of reaction mechanisms and molecular properties, molecular dynamics
• Exercises with Python and ORCA (volountary)

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oral exam

Theoretical chemistry