MRC16: Computational Spectroscopy

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TU Dresden | Semester overlapping 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, Beginn: 29.10., 13:00, KOE/107

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.

In the last part Dr. Michael Patzschke (HZDR) will discuss the impact of relativity on spectroscopic properties.

As HSZ is temporarily closed, the lecture will be offered in the lecture hall in Königbau.

Alternatively, a live stream will be available via zoom:

Streaming:

Zoom-Meeting beitreten
https://tu-dresden.zoom.us/j/86578294025?pwd=QzRyYXZaZktiRWI5SlZLSzVYSUh3UT09

Meeting-ID: 865 7829 4025
Kenncode: FnZ1c$

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