Name:
24) Nora Kovacs
Excited-State Dynamics Simulation of Near-Infrared-Emitting Vanadium(III) Complexes
13.05.2022

23) Theres Friesacher
MolTag Lab Rotation
28.01.2022

22) Sara Tkaczyk
Excited States Study of a c-Myc G-Quadruplex with an Intercalated Merocyanine Probe
17.11.2021

21) Benjamin Nagl
Investigation of Absorption and Emission Spectra of the Redox Active Complex ReSSppy
21.10.2021

20) Laurin Pollesböck
Aminolactonization of Exocyclic Olefins: A Mechanistic Study
29.04.2021

19) Vera Brieskorn
Testing the Applicability of Linearly corrected Dipole Moments in a Linear Vibronic coupling Model
19.04.2021

18) Johann Dorn
Excited State Potential Energy Surface Exploration of Potential CO and NO Donor Complex [Mo(Cp)(NO)(CO)2]
16.02.2021

17) Julia Franz
Investigation of the Absorption Spectra of Two Redox Active Dithio Rhenium-complexes
07.02.2021

16) Thomas Knoll
Excited State Dynamics of Luminescent V(III) Complex
19.12.2020

15) Robert Strothmann
Initial Conditions Sampling to Setup a Excited State Dynamics QM/MM Study of Spiropyran Derivative
15.10.2020

14) Benedict Braunsfeld
Mass Spectra Prediction
14.09.2020

13) Lukas Brandfellner
Studying Pyrrole in an Electric Field
07.09.2020

12) Chiara Luna Onorati
Theoretical Investigation of the Ligand Exchange and Deactivation Energetics in the [Ru(tpy)(bpy)] and [Ru(tpy)(dppz)] Catalysts
22.07.2020

11) Richard Jacobi
Investigations on the Interaction and Electron Transfer between the [Ru(bpyC17(bpy2]+2 Complex inserted in a Lipid Membrane and Ascorbate
22.03.2020

10) Stephan Reichl
The Lord of NNMT - A Mathematician's Journey Through Organic Chemistry
25.12.2019

9) Anna Karina Bäck
Supramolecular Arrangement of Tetracarboxylic Acids and its Properties: Energy, Planarity, Rotation
30.09.2019

8) Anna Karina Bäck
Analysis of Electronic Excitations in two Transition Metal Complexes, [Re(bpyS-S)(py)(CO)3]+ and [Ir(ppy)2(bpyS-S)]+
15.07.2019

7) Maximilian Xaver Tiefenbacher
Performance analysis of quantum chemistry programs on a vector processor
01.07.2019

6) Gediminas Pazera
Comparison of Hopping Algorithms to be used in Excited State Machine Learning Molecular Dynamics
01.07.2019

5) Lisa Panzenböck
Development of a Neural Network for Tyrosine
01.03.2019

4) Florian Jörg
Development of a Neural Network for Tyrosine
01.03.2019

3) Dóra Vörös
Ultrafast Excited-State Decays in α-Diimine Transition Metal Complexes investigated with Linear Vibronic Coupling model within the Surface Hopping dynamics approach
11.02.2019

2) András Szabadi
The Importance of Quantum Effects in PtBr 26 While Using an LVC Hamiltonian
20.01.2019

1) Leopold Lindenbauer
Exact Simulations including Explicit Laser Pulses on a 1-Dimensional Model System of Pyrrole
07.01.2019