In this course we will discuss some theoretical background of modern
computational methods for (molecular) chemistry and run some basic and
advanced calculations (structure optimization, reaction mechanisms,
molecular properties and spectra). You will learn how to set up
calculations using standard quantum chemical programs (mainly ORCA) and
make use of the high performance computing facilities of the WWU (Palma
system).
- Lehrende/r: Christian Mück-Lichtenfeld
- Lehrende/r: Johannes Neugebauer
Semester: ST 2021
- Lehrende/r: Georg Hempel
- Lehrende/r: Lea Marie Elisabeth Schatz
Semester: ST 2021
- Lehrende/r: Georg Hempel
- Lehrende/r: Lea Marie Elisabeth Schatz
Semester: ST 2021
- Lehrende/r: Georg Hempel
- Lehrende/r: Lea Marie Elisabeth Schatz
Semester: ST 2021