Please choose type of thesis:

Habilitation Thesis

2) Philipp Marquetand
Molecules and light
19.06.2017

1) Leticia González
Analysis and Control of Unimolecular Chemical Reactions by Quantum Simulations
31.05.2004

PhD Thesis

20) Michael Gastegger
Artificial Intelligence in Theoretical Chemistry
04.09.2017

19) Federico Latorre
Quantum chemical investigation towards Raman enhancement effects
12.04.2017

18) Sebastian Mai
Excited-State Dynamics of Nucleobase Analogues
24.10.2016

17) Leon Freitag
Quantum chemical studies on electronic structure and photodynamics of ruthenium complexes
18.11.2015

16) Martin Richter
Femtosecond Dynamics of DNA/RNA Nucleobases after UV Excitation including Spin-Orbit Couplings
10.10.2014

15) Rana Obaid
Competing Light Induced Molecular Torsions: Molecular Symmetry, Quantum Chemistry and Dynamical Simulations
12.05.2014

14) Daniel Kinzel
Photoisomerization versus Photodissociation of a Chiral Fluoroethylene Derivative. Quantum Chemistry, Dynamics and Control
24.04.2013

13) Stephan Kupfer
Computational characterization of novel solar light-harvesting dyes and electron-transfer systems
19.02.2013

12) Mariana Assmann
Multidimensional dynamics and laser control in the presence of conical intersections
17.12.2012

11) Daniel Escudero Masa
Spectroscopy and photochemistry of transition metal complexes: a quantum chemical study
04.07.2011

10) Veronica Leyva
The excited state intramolecular hydrogen transfer mechanism of ortho-Nitrobenzaldehyde: a quantum chemical and molecular dynamics study
30.04.2011

9) Guillermo Pérez-Hernández
Light-triggered unidirectional molecular rotors: theoretical investigations on conformational dynamics and laser control
01.12.2010

8) Shireen Alfallah
Quantum dynamics of photochemical model reactions via conical intersections
30.06.2010

7) Ricardo Matute
Estudio teórico de la estructura electrónica y de los mecanismos de tautomería lactama-lactima en bilinas de fitocromo
30.06.2010

6) David Ambrosek
Quantum optimal control of bond selective separation of ligands from organometallic molecules
28.09.2007

5) Mohamed Shibl
Mechanisms of double proton tautomerization & quantum control of tautomerism in enantiomers by light
31.10.2006

4) Nadia Elgohobashi
Theory of using few-cycle IR and UV laser pulses to control the orientation and selective dissociation of hydrogen-bonded anions
31.05.2005

3) Dominik Kröner
Theory of selective preparation of enantiomers by laser pulses
30.06.2003

2) Jürgen Full
Ultrafast photodissociation dynamics of η5-CpMn(CO)3 (Cymantrene): theory for analysis and control
31.10.2002

1) Markus Oppel
Quantenchemische und quantendynamische Rechnungen zur Schwingungsanregung und Photodissoziation von HNO3 durch ultrakurze Laserpulse
30.04.1998

Diploma/Master Thesis

16) Solène Oberli
Quantum control of rovibrational dynamics by shaped-dump laser pulses
12.08.2014

15) Michael Gastegger
De-novo enzyme design for olefin metathesis
18.12.2013

14) Christoph Bauer
Computational study on ruthenium anticancer complexes in the presence of Reactive Oxygen Species
04.11.2013

13) Clemens Rauer
Ab initio molecular dynamics study of the relaxation of purine after UV excitation considering singlet-triplet interactions
16.05.2013

12) David Ferro
Efectos Geométricos y Conformacionales de la Excitación Electrónica en Compuestos Carbonílicos Simples: Interpretación QTAIM
31.08.2012

11) Sebastian Mai
The role of triplet states in the excited states dynamics of sulphur dioxide
11.07.2012

10) Anna Hauser
Theoretical investigations of α, β unsaturated pentadiene acid and the interaction with small gold clusters
22.03.2012

9) Leon Freitag
The hydrogen dissociation in dimethylfluoroethylene (DMFE): a high accuracy quantum chemical study
30.09.2011

8) Caroline von Eiff
Potential energy surface sampling of ortho-Nitrobenzaldehyde 1:2 water complexes using Monte Carlo simulations
08.04.2011

7) Martin Richter
Semiclassical molecular dynamics including spin-orbit coupling and field induced state hopping
30.09.2010

6) Stephan Kupfer
Quantum simulations for light induced cis/trans moleculare switches
16.12.2009

5) Mariana Assmann
Theoretical studies of the conformations and dynamics of 2-cyclopentylidene-tetrahydrofuran
30.07.2009

4) Hartmut Preuß
Theoretical investigation of haptotropic molecular switches controlled by strong laser pulses
20.03.2009

3) Daniel Kinzel
A theoretical study of the thermal rearrangement of cis- and trans-pinane
06.06.2008

2) Guillermo Pérez-Hernández
Potential energy surfaces, associated nuclear vibrational eigenfunctions and corresponding eigenenergies in FHF-. A three dimensional study
31.01.2007

1) Imed Mehdaoui
Quantentheorie zur Laserpuls-kontrollierten Zündung chiraler molekularer Motoren: Modellsimulationen fuer (4-Methyl-cyclohexyliden)fluormethan
30.04.2003

Bachelor Thesis

14) Patricia Wolf
Excited-State Potential Energy Surface Exploration and Dynamics Simulations of 2-Selenouracil
30.01.2017

13) Ludwig Schwiedrzik
Photochemistry of the Cyclobutane Cytosine Dimer in the Singlet Manifold
29.09.2016

12) Konrad Martinek
Testing the Accuracy of Adiabatic Elimination in the Simulation of Multiphoton Processes
06.09.2016

11) Lea Ibele
Computational Investigation of the Absorption and Fluorescence Spectra of KP1796
28.06.2016

10) Isolde Sandler
Quantum chemical calculations on indazole and methyl-indazole ruthenium and osmium complexes
26.11.2015

9) Marius Bittermann
Diffusion of Methylene Blue and a Methylene Blue Derivative through Lipid Membranes: A Molecular Dynamics Study
26.11.2015

8) Jakob Niedermüller
A theoretical study of the photophysics of keto-5-bromocytosine
28.10.2015

7) Moritz Heindl
Theoretical Investigation of the Absorption Spectrum of 2-Nitronaphthalene
12.08.2015

6) Daphne Del Carmen Kolland
Influence of explicit aqueous solvent on the stabilization of 8-Aza-adenine tautomers
14.07.2015

5) Julia Westermayr
Influence of η²-complexes on the ring-closing metathesis reaction catalysed by an artificially designed enzyme
08.07.2015

4) Neptun Yousefi
Tautomers of 8-Aza-Adenine
06.11.2014

3) Markus Pötzlberger
Simulation of Photoionization via Adiabatic Elimination
20.08.2014

2) Shushu Kong
Theoretical study of the photochemistry of 2,3-oxa-bicyclo[2.2.2]octa-5,7-diene
30.11.2006

1) Jorge Fallas
Substituent effects in heterocyclic aromatic molecules: A theoretical characterization of pyridine derivates
31.07.2006