MRC16: Computational Spectroscopy

Diese Veranstaltung wird im Rahmen der folgenden Module angeboten:

Studiengang Chemie:

Modul MA-CH-MRC16 "Computational Spectroscopy" (2 0 4)

Termine:

DO(4-6), HSZ/203.

Dieser Kurs wird alle zwei Jahre angeboten. Nächster Termin: Wintersemester 2022/23.

Sprache:

Der Kurs wird nur auf englisch angeboten.

Content:

This application-based  module provides the foundations and means to calculate spectroscopy data with the methods of modern computational chemistry and aims at all interested students of the master program in chemistry and to related programs.

We will discuss the relation between structure, properties and spectroscopic signatures of molecules. After rehearsing the basics of density-functional theory and geometry optimization, electron affinities, ionization potential and polarizabilities, we will cover vibrational spectroscopy (IR, Raman), NMR, EPR and UV/Vis spectroscopy.