Univ.-Prof. Dr. Dr. h.c. Leticia Gonzalez Herrero
Winter term 2021
270020 PR Bachelor Laboratory Course D - Theoretical Chemistry and Computational Biological Chemistry
270164 VO Theoretical Chemistry of Materials - for Students of Chemistry and Technology of Materials
1 - 20 out of 261












Mai, S., Klingler, S., Trentin, I., Kund, J., Holzer, M., Andreeva, A., Stach, R., Kranz, C., Streb, C., Mizaikoff, B., & Gonzalez, L. (2021). Spectral Signatures of Oxidation States in a Manganese-Oxo Cubane Water Oxidation Catalyst. Chemistry: A European Journal, 27(68), 17078-17086. https://doi.org/10.1002/chem.202102583







Cardenas, G., Trentin, I., Schwiedrzik, L., Hernandez-Castillo, D., Lowe, G. A., Kund, J., Kranz, C., Klingler, S., Stach, R., Mizaikoff, B., Marquetand, P., Nogueira, J. J., Streb, C., & Gonzalez, L. (2021). Activation by oxidation and ligand exchange in a molecular manganese vanadium oxide water oxidation catalyst. Chemical Science, 12(39), 12918-12927. https://doi.org/10.1039/d1sc03239a

1 - 20 out of 261

Disentangling excited states and nonadiabatic dynamics in biomolecular environments

Leticia Gonzalez Herrero (Invited speaker)

27 Feb 2022

Activity: Talks and presentationsTalk or oral contributionScience to Science


In silico nonadiabatic ultrafast dynamics in transition metal complexes

Leticia Gonzalez Herrero (Invited speaker)

16 Dec 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


All You Need Is Light: How to Efficiently Simulate Dynamics of Photoinduced Reactions

Leticia Gonzalez Herrero (Invited speaker)

1 Dec 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


Molecular excited state dynamics. Are we there yet?

Leticia Gonzalez Herrero (Invited speaker)

25 Nov 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


QBtopIC 6: Excited state dynamics of transition metal complexes

Leticia Gonzalez Herrero (Invited speaker), Oliver Kühn (Contributor) & Jan Patrick Zobel (Contributor)

24 Nov 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


All you need is light: efficient calculation of excited state dynamics

Leticia Gonzalez Herrero (Invited speaker)

10 Nov 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


How to run nonadiabatic dynamics simulations of transition metal complexes and not to die in the attempt

Leticia Gonzalez Herrero (Invited speaker)

28 Oct 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


Simulation in der Chemie

Leticia Gonzalez Herrero (Invited speaker)

21 Oct 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


Computer-aided investigation, rational design and pharmacological characterization of fluorescent probes for imaging monoamine transporters

Nadja Katharina Singer (Speaker), O. J. Belleza (Speaker), Leticia Gonzalez Herrero (Contributor) & Harald H. Sitte (Contributor)

29 Sep 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


Using Laser Fields to Modify the Ultrafast Dynamics of a Transition Metal Complex

Moritz Heindl (Speaker) & Leticia Gonzalez Herrero (Contributor)

23 Sep 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


Bending Air out of a Cube: Flexibility Enhances Reactivity in a Mn4O4 Water Oxidation Catalyst

Ludwig Schwiedrzik (Speaker) & Leticia Gonzalez Herrero (Contributor)

21 Sep 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


Förster Resonance Energy Transfer between Chromophores Embedded into Lipid Membrane

Richard Wilhelm Jacobi (Speaker), David Hernández Castillo (Contributor), J. Bösking (Contributor), N. Sinambela (Contributor), A. Pannwitz (Contributor) & Leticia Gonzalez Herrero (Contributor)

21 Sep 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


Temperatur Dependent Emission Lifetime of Ru(II) Complexes with Bi-Pyridine Ligands

David Hernández Castillo (Speaker), M. Schmid (Contributor), R. Nau (Contributor), S. Rau (Contributor), S. Tschierlei (Contributor) & Leticia Gonzalez Herrero (Contributor)

21 Sep 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


Field-Induced Surface Hopping: Validation and Control

Moritz Heindl (Invited speaker) & Leticia Gonzalez Herrero (Contributor)

14 Sep 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


Electronic structure methods, developing molecular reaction dynamical methods

Leticia Gonzalez Herrero (Keynote speaker)

10 Sep 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


A Catalyst-free, HFIP-mediated AZA-Morita-Baylis-Hillman Reaction

Miran Lemmerer (Speaker), Margaux Riomet (Contributor), Ricardo José Cruz Meyrelles (Contributor), Boris Maryasin (Contributor), Leticia Gonzalez Herrero (Contributor) & Nuno Maulide (Contributor)

31 Aug 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


Modeling ultrafast dynamics in transition metal complexes

Leticia Gonzalez Herrero (Keynote speaker)

19 Jul 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


From Taco to Banana: Turn-On Mechanism of a Fluorescent Probe for Imaging GABAA Receptors

Nadja Katharina Singer (Speaker), Pedro Alejandro Sánchez Murcia (Contributor), M. Ernst (Contributor) & Leticia Gonzalez Herrero (Contributor)

14 Jun 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


Going bananas! Spectroscopic changes from solution to biological environments

Leticia Gonzalez Herrero (Keynote speaker)

14 Jun 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


Research talk: "Ultrafast dynamics in light-harvesting complexes and more"

Leticia Gonzalez Herrero (Invited speaker)

14 Jun 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


Tutorial talk: "Introduction to light-driven chemistry and excited state dynamics"

Leticia Gonzalez Herrero (Invited speaker)

14 Jun 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


A Unified Approach for the alpha-Functionalization of Amides

Carlos Goncalves (Speaker), Miran Lemmerer (Contributor), Christopher J. Teskey (Contributor), Pauline Adler (Contributor), Daniel Kaiser (Contributor), Boris Maryasin (Contributor), Leticia Gonzalez Herrero (Contributor) & Nuno Maulide (Contributor)

10 Jun 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


Mechanistic Insight on the Selenium-Catalysed Isomerisation of Hydroxamic Acids into para-Aminophenols

Ricardo José Cruz Meyrelles (Speaker), Huang Chuang (Contributor), Manuel Schupp (Contributor), Boris Maryasin (Contributor), Leticia Gonzalez Herrero (Contributor) & Nuno Maulide (Contributor)

10 Jun 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


Light and shadows on the quantum simulation of molecular electronic excited states

Leticia Gonzalez Herrero (Keynote speaker)

1 Jun 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


Molecules and Light: Challenges for Theory

Leticia Gonzalez Herrero (Keynote speaker)

28 May 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


Shining light on transition metal complexes: A dynamical view

Leticia Gonzalez Herrero (Invited speaker)

22 Apr 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


In silico molecular photochemistry

Leticia Gonzalez Herrero (Invited speaker)

21 Apr 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


Nonadiabatic Dynamics Simulations of a Light-Driven Molecular Motor in Solution

Jin Wen (Speaker), Sebastian Mai (Contributor) & Leticia Gonzalez Herrero (Contributor)

19 Apr 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


Under Catalysis: Mechanisms, Excited States and Dynamics

Leticia Gonzalez Herrero (Invited speaker)

13 Apr 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


Computations of excited state molecular dynamics

Leticia Gonzalez Herrero (Invited speaker)

8 Apr 2021

Activity: Talks and presentationsTalk or oral contributionScience to Science


Watching a Catalyst Function: Theoretical Insights on Water Oxidation

Leticia Gonzalez Herrero (Invited speaker)

25 Sep 2020

Activity: Talks and presentationsTalk or oral contributionScience to Science


Molecules and Light: Insights from Theory

Leticia Gonzalez Herrero (Invited speaker)

3 Mar 2020

Activity: Talks and presentationsTalk or oral contributionScience to Science


Molecular modelling of photopharmacological properties

Leticia Gonzalez Herrero (Invited speaker)

25 Feb 2020

Activity: Talks and presentationsTalk or oral contributionScience to Science


Computational QM methods: strengths, weaknesses, and key differences

Leticia Gonzalez Herrero (Invited speaker)

17 Feb 2020

Activity: Talks and presentationsTalk or oral contributionScience to Science


Molecular photochemistry including non-adiabatic couplings, spin-orbit couplings and laser field interactions

Leticia Gonzalez Herrero (Keynote speaker)

10 Nov 2019

Activity: Talks and presentationsTalk or oral contributionScience to Science


Do you SHARC? Exploring photochemistry with ab initio molecular dynamics

Leticia Gonzalez Herrero (Invited speaker)

7 Nov 2019

Activity: Talks and presentationsTalk or oral contributionScience to Science


Introduction to Quantum Dynamics and Applications in Photochemistry

Leticia Gonzalez Herrero (Invited speaker)

7 Nov 20198 Nov 2019

Activity: Talks and presentationsTalk or oral contributionScience to Science


How to run extensive excited state dynamics and survive it

Leticia Gonzalez Herrero (Invited speaker)

30 Oct 2019

Activity: Talks and presentationsTalk or oral contributionScience to Science


What, who, and when? Lessons from dynamical calculations of photo-excited transition metal compounds

Leticia Gonzalez Herrero (Invited speaker)

30 Sep 20192 Oct 2019

Activity: Talks and presentationsTalk or oral contributionScience to Science


Computational molecular photochemistry. Are we there yet?

Leticia Gonzalez Herrero (Invited speaker)

15 Sep 2019

Activity: Talks and presentationsTalk or oral contributionScience to Science


Machine learning for excited state dynamics: fitting multi-dimensional potentials for energies, forces and couplings

Julia Westermayr (Speaker), F. A. Faber (Contributor), A. S. Christensen (Contributor), Maximilian Menger (Contributor), Sebastian Mai (Contributor), Leticia Gonzalez Herrero (Contributor), A. von Lilienfeld (Contributor) & Philipp Marquetand (Speaker)

9 Sep 2019

Activity: Talks and presentationsTalk or oral contributionScience to Science


Light it up - Computer simulations of light-induced processes

Leticia Gonzalez Herrero (Invited speaker)

18 Jul 2019

Activity: Talks and presentationsTalk or oral contributionScience to Science


Excited state dynamics of transition metal complexes using efficient trajectory surface hopping methods

Leticia Gonzalez Herrero (Invited speaker)

11 Jul 2019

Activity: Talks and presentationsTalk or oral contributionScience to Science


Surface hopping excited state dynamics using a linear vibronic coupling method

Leticia Gonzalez Herrero (Invited speaker)

30 Jun 2019

Activity: Talks and presentationsTalk or oral contributionScience to Science


Excited state dynamics simulations using SHARC

Leticia Gonzalez Herrero (Invited speaker)

17 Jun 2019

Activity: Talks and presentationsTalk or oral contributionScience to Science


Challenges to simulate nonadiabatic dynamics in realistic systems

Leticia Gonzalez Herrero (Invited speaker)

14 May 2019

Activity: Talks and presentationsTalk or oral contributionScience to Science


Simulation of molecular photochemistry

Leticia Gonzalez Herrero (Invited speaker)

8 May 2019

Activity: Talks and presentationsTalk or oral contributionScience to Science


C3. Watching a Catalyst function: Theoretical insights into Water Oxidation on Mn-V Clusters Embedded to Polymers

Gustavo Adolfo Cardenas (Speaker), Ludwig Schwiedrzik (Contributor), Leticia Gonzalez (Contributor) & Philipp Marquetand (Contributor)

11 Apr 2019

Activity: Talks and presentationsTalk or oral contributionScience to Science


Drastic effect of the electrostatic energy on the binding mode of spiropyran photoprobe to dsDNA

Davide Avagliano (Speaker), Pedro Alejandro Sánchez Murcia (Contributor) & Leticia Gonzalez (Contributor)

4 Apr 2019

Activity: Talks and presentationsTalk or oral contributionScience to Science


Excited states and ultrafast chemical dynamics on the computer

Leticia Gonzalez (Invited speaker)

4 Apr 2019

Activity: Talks and presentationsTalk or oral contributionScience to Science


Excited states and ultrafast chemical dynamics on the computer

Leticia Gonzalez (Invited speaker)

3 Apr 2019

Activity: Talks and presentationsTalk or oral contributionScience to Science


SHARC dynamics on transition metal complexes using a linear vibronic coupling model: Do or die?

Leticia Gonzalez (Keynote speaker)

21 Mar 2019

Activity: Talks and presentationsTalk or oral contributionScience to Science


Non-adiabatic dynamics: The good, the SHARC and the ugly?

Leticia Gonzalez (Invited speaker)

8 Mar 2019

Activity: Talks and presentationsTalk or oral contributionScience to Science


Challenges in non-adiabatic dynamics

Leticia Gonzalez (Keynote speaker)

17 Feb 2019

Activity: Talks and presentationsTalk or oral contributionScience to Science


Bridging scales to design functional molecules

Leticia Gonzalez (Invited speaker)

21 Jan 2019

Activity: Talks and presentationsTalk or oral contributionScience to Science


Machine learning for excited-state molecular dynamics

Julia Westermayr (Speaker), Michael Gastegger (Contributor), Maximilian Menger (Contributor), Sebastian Mai (Contributor), Leticia Gonzalez (Contributor) & Philipp Marquetand (Contributor)

10 Dec 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


Excited state dynamics in solution

Leticia Gonzalez (Keynote speaker)

3 Dec 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


Light and darkness in theoretical chemistry. My ongoing journey

Leticia Gonzalez (Keynote speaker)

12 Nov 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


Excited State Dynamics of Transition Metal Complexes using SHARC

Leticia Gonzalez (Invited speaker)

10 Oct 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


Simulations of a liposomal assisted delivery of the Temoporfin photosensitizer

Martina De Vetta (Speaker), O. Baig (Contributor), Leticia Gonzalez (Contributor) & Juan Jose Nogueira Perez (Contributor)

19 Sep 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


Neural Networks Trained on Ab-initio Data for Executing Surface Hopping Molecular Dynamics

Julia Westermayr (Speaker), Leticia Gonzalez (Contributor) & Philipp Marquetand (Contributor)

17 Sep 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


Excited state dynamics of transition metal complexes

Leticia Gonzalez (Keynote speaker)

9 Sep 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


Excited state dynamics of transition metal complexes

Leticia Gonzalez (Keynote speaker)

3 Sep 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


Molecular dynamics

Leticia Gonzalez (Keynote speaker)

27 Aug 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


Orbital-free theoretical descriptors to design directional excitation in Ru-based photosensitizers

Pedro Alejandro Sánchez Murcia (Speaker), Juan Jose Nogueira Perez (Contributor), Felix Plasser (Contributor) & Leticia Gonzalez (Contributor)

26 Aug 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


The SHARC approach for non-adiabatic dynamics

Leticia Gonzalez (Invited speaker)

26 Aug 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


Unusual Mechanisms in Claisen Rearrangements

Boris Maryasin (Speaker), Dainis Kaldre (Contributor), Daniel Kaiser (Contributor), Oliver Gajsek (Contributor), Renan Galaverna (Contributor), Stefan Ruider (Contributor), Martina Drescher (Contributor), Hanspeter Kaehlig (Contributor), Marcos N. Eberlin (Contributor), Igor D. Jurberg (Contributor), Leticia Gonzalez (Contributor) & Nuno Maulide (Contributor)

26 Aug 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


Computational models to improve photosensitizers for photodynamical therapy

Martina De Vetta (Speaker), Ines Corral (Contributor), D. Steen (Contributor), A. Wiehe (Contributor) & Leticia Gonzalez (Contributor)

23 Jul 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


SHARC Photodynamics of the trans-[RuCl(NO)Py4]2+

Francesco Talotta (Speaker), Martial Boggio-Pasqua (Contributor) & Leticia Gonzalez (Contributor)

23 Jul 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


Surface Hopping Dynamics within an Exciton Model – An electrostatic embedding scheme

Maximilian Menger (Speaker), Felix Plasser (Contributor), Benedetta Mennucci (Contributor) & Leticia Gonzalez (Contributor)

23 Jul 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


Excited states and dynamics in transition metal complexes

Leticia Gonzalez (Invited speaker)

8 Jul 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


Surface Hopping Dynamics within an Excitonic Picture

Maximilian Menger (Speaker), Felix Plasser (Contributor), Benedetta Mennucci (Contributor) & Leticia Gonzalez (Contributor)

4 Jul 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


Descriptors to characterize excited states and its time evolution in the presence of environment

Leticia Gonzalez (Keynote speaker)

24 Jun 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


Molecular photochemistry

Leticia Gonzalez (Keynote speaker)

3 Jun 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


Molecules and Light from the Theoretical Side

Leticia Gonzalez (Invited speaker)

29 May 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


Dancing with SHARCs, a theoretical view of molecular excited state dynamics

Leticia Gonzalez (Invited speaker)

25 Apr 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


The SHARC approach to intersystem crossing

Leticia Gonzalez (Invited speaker)

12 Apr 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


Who is who? How to deal with Dynamics of photo-excited Transition metal complexes

Leticia Gonzalez (Speaker), Sebastian Mai (Contributor), Andrew Atkins (Contributor) & Felix Plasser (Contributor)

11 Apr 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


Challenges for excited states and dynamics in the presence of environment

Leticia Gonzalez (Speaker)

5 Mar 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


EXTRA-SHARC (Excited State Dynamics of Transition Metal Complexes using SHARC)

Leticia Gonzalez (Invited speaker)

28 Feb 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


Methods for exciting transition metal complexes

Leticia Gonzalez (Invited speaker)

17 Jan 2018

Activity: Talks and presentationsTalk or oral contributionScience to Science


Modeling photochemistry in the presence of complex environments

Leticia Gonzalez (Invited speaker)

14 Dec 2017

Activity: Talks and presentationsTalk or oral contributionScience to Science


Quantum and classical modeling: Challenges and opportunities for drug design

Leticia Gonzalez (Invited speaker)

30 Nov 2017

Activity: Talks and presentationsTalk or oral contributionScience to Science


The SHARC approach to simulate excited-state dynamics

Leticia Gonzalez (Invited speaker)

30 Oct 2017

Activity: Talks and presentationsTalk or oral contributionScience to Science


My name is bond…hydrogen bond

Leticia Gonzalez (Speaker)

26 Oct 2017

Activity: Talks and presentationsTalk or oral contributionScience to Science


Dancing with SHARCs: A dynamical view of photochemistry

Leticia Gonzalez (Invited speaker)

26 Sep 2017

Activity: Talks and presentationsTalk or oral contributionScience to Science


Photostability and Photodamage in DNA Building Blocks

Leticia Gonzalez (Invited speaker)

27 Aug 2017

Activity: Talks and presentationsTalk or oral contributionScience to Science


Excited states, Solvation Effects and Ultrafast Nonadiabatic Dynamics of Transition Metal Complexes

Leticia Gonzalez (Invited speaker)

9 Jul 2017

Activity: Talks and presentationsTalk or oral contributionScience to Science


Photodynamics in DNA building blocks

Leticia Gonzalez (Invited speaker)

25 Jun 2017

Activity: Talks and presentationsTalk or oral contributionScience to Science


News from DNA under the Sun: a Theoretician’s View

Leticia Gonzalez (Invited speaker)

20 Jun 2017

Activity: Talks and presentationsTalk or oral contributionScience to Science


Photochemistry from first principles. Are we there yet?

Leticia Gonzalez (Invited speaker)

24 May 2017

Activity: Talks and presentationsTalk or oral contributionScience to Public


Light triggered dynamics in DNA building blocks

Leticia Gonzalez (Speaker)

18 Apr 2017

Activity: Talks and presentationsTalk or oral contributionScience to Science


Excited states and dynamics of biosystems. A challenge for theory

Leticia Gonzalez (Invited speaker)

9 Mar 2017

Activity: Talks and presentationsTalk or oral contributionScience to Science


Exploring the Danger Zone: How the Choice of Method Affects Dynamics Beyond the Franck-Condon Region

Andrew Atkins (Speaker), Sebastian Mai (Contributor), M. Pabst (Contributor), A. Köhn (Contributor), Felix Plasser (Contributor) & Leticia Gonzalez (Contributor)

5 Mar 2017

Activity: Talks and presentationsTalk or oral contributionScience to Science


Environmental effects on the photophysics of methylene blue

Leticia Gonzalez Herrero (Invited speaker)

8 Dec 2016

Activity: Talks and presentationsTalk or oral contributionOther


Dancing with SHARCs: A dynamical insight in photochemistry

Leticia Gonzalez Herrero (Invited speaker)

23 Nov 2016

Activity: Talks and presentationsTalk or oral contributionOther


Molecular nonadiabatic dynamics including spin transitions

Leticia Gonzalez Herrero (Invited speaker)

3 Nov 2016

Activity: Talks and presentationsTalk or oral contributionOther


Nonadiabatic dynamics including intersystem crossing

Leticia Gonzalez Herrero (Invited speaker)

10 Oct 2016

Activity: Talks and presentationsTalk or oral contributionOther


Basic concepts in photochemistry

Leticia Gonzalez Herrero (Speaker)

3 Oct 2016

Activity: Talks and presentationsTalk or oral contributionOther


Solving the electronic TISE. Methods overview for excited states

Leticia Gonzalez Herrero (Speaker)

3 Oct 2016

Activity: Talks and presentationsTalk or oral contributionOther


Challenges to describe intersystem crossing dynamics

Leticia Gonzalez Herrero (Invited speaker)

11 Sep 2016

Activity: Talks and presentationsTalk or oral contributionOther


Dancing with "SHARC"s: Dynamical insights into light-induced photochemistry

Leticia Gonzalez Herrero (Invited speaker)

7 Sep 2016

Activity: Talks and presentationsTalk or oral contributionOther


Predicting charge transfer properties in transition metal complexes. Challenges from theory

Leticia Gonzalez Herrero (Speaker)

4 Sep 2016

Activity: Talks and presentationsTalk or oral contributionOther


Ultrafast excited state dynamics including intersystem crossing. Challenges and case studies

Leticia Gonzalez Herrero (Speaker)

11 Jul 2016

Activity: Talks and presentationsTalk or oral contributionOther


Ciencia migrante - Migrierende Wissenschaft

Leticia Gonzalez Herrero (Invited speaker)

31 May 2016

Activity: Talks and presentationsTalk or oral contributionOther


All you need is light: Photochemistry from first principles

Leticia Gonzalez Herrero (Invited speaker)

26 Apr 2016

Activity: Talks and presentationsTalk or oral contributionOther


Direct non-adiabatic excited states dynamics including both internal conversion and intersystem crossing

Leticia Gonzalez Herrero (Speaker)

11 Apr 2016

Activity: Talks and presentationsTalk or oral contributionOther


Watching molecules dancing

Leticia Gonzalez Herrero (Speaker)

22 Feb 2016

Activity: Talks and presentationsTalk or oral contributionOther


Modelling excited states and their dynamics

Leticia Gonzalez Herrero (Keynote speaker)

16 Feb 2016

Activity: Talks and presentationsTalk or oral contributionOther


Light and Enlightenment: A theoretical chemists pathway

Leticia Gonzalez Herrero (Invited speaker)

11 Jan 2016

Activity: Talks and presentationsTalk or oral contributionOther


Excited States for Complex Systems: Phase-Space Sampling and Environment

Leticia Gonzalez Herrero (Speaker)

20 Sep 2015

Activity: Talks and presentationsTalk or oral contributionOther


Shining light on transition metal complexes - Challenges for theory

Leticia Gonzalez Herrero (Speaker)

24 Aug 2015

Activity: Talks and presentationsTalk or oral contributionOther


Chemical implications of spin

Leticia Gonzalez Herrero (Invited speaker)

12 Jul 2015

Activity: Talks and presentationsTalk or oral contributionOther


Revolving around Spin: from Nuclear Spin Isomers to Intersystem Crossing Dynamics

Leticia Gonzalez Herrero (Invited speaker)

6 Jul 2015

Activity: Talks and presentationsTalk or oral contributionOther


From photostability to photodamage in DNA: insights from molecular dynamics

Leticia Gonzalez Herrero (Invited speaker)

3 Jul 2015

Activity: Talks and presentationsTalk or oral contributionOther


Shinning light on transition metal complexes: theory and applications

Leticia Gonzalez Herrero (Invited speaker)

18 Jun 2015

Activity: Talks and presentationsTalk or oral contributionOther


Molecules and Light. A theoretical insight

Leticia Gonzalez Herrero (Invited speaker)

22 May 2015

Activity: Talks and presentationsTalk or oral contributionOther


Ultrafast Intersystem Crossing Dynamics

Leticia Gonzalez Herrero (Invited speaker)

21 Apr 2015

Activity: Talks and presentationsTalk or oral contributionOther


Describing intersystem crossing dynamics

Leticia Gonzalez Herrero (Invited speaker)

26 Feb 2015

Activity: Talks and presentationsTalk or oral contributionOther


Intersystem crossing in photochemistry

Leticia Gonzalez Herrero (Invited speaker)

25 Feb 2015

Activity: Talks and presentationsTalk or oral contributionOther


Molecules and light: a dynamical insight

Leticia Gonzalez Herrero (Invited speaker)

9 Jan 2015

Activity: Talks and presentationsTalk or oral contributionOther


Ab initio molecular dynamics studies of intersystem crossing

Leticia Gonzalez Herrero (Invited speaker)

21 Nov 2014

Activity: Talks and presentationsTalk or oral contributionOther


Ab initio molocular dynamics studies of intersystem crossing

Leticia Gonzalez Herrero (Invited speaker)

21 Nov 2014

Activity: Talks and presentationsTalk or oral contributionOther


Watching molecules dancing

Leticia Gonzalez Herrero (Invited speaker)

20 Nov 2014

Activity: Talks and presentationsTalk or oral contributionOther


Modelling Ultrafast Photoinduced Spin Dynamics

Leticia Gonzalez Herrero (Invited speaker)

11 Jul 2014

Activity: Talks and presentationsTalk or oral contributionOther


Ultrafast Intersystem Crossing in SO_2 and Nucleobases

Leticia Gonzalez Herrero (Invited speaker)

7 Jul 2014

Activity: Talks and presentationsTalk or oral contributionOther


Ultrafast spin dynamics in organic molecules

Leticia Gonzalez Herrero (Invited speaker)

2 Jul 2014

Activity: Talks and presentationsTalk or oral contributionOther


Relaxation mechanisms of photoexcited DNA/RNA nucleobases: insights from ab initio molecular dynamics

Leticia Gonzalez Herrero (Invited speaker)

18 May 2014

Activity: Talks and presentationsTalk or oral contributionOther


Methods to describe ultrafast photoinduced processes

Leticia Gonzalez Herrero (Invited speaker)

9 Apr 2014

Activity: Talks and presentationsTalk or oral contributionOther


Photochemistry and MOLCAS

Leticia Gonzalez Herrero (Invited speaker)

24 Mar 2014

Activity: Talks and presentationsTalk or oral contributionOther


tba

Leticia Gonzalez Herrero (Invited speaker)

5 Dec 2013

Activity: Talks and presentationsTalk or oral contributionOther


Ab initio molecular dynamics including non-adiabatic and spin-orbit couplings

Leticia Gonzalez Herrero (Invited speaker)

8 Oct 201311 Oct 2013

Activity: Talks and presentationsTalk or oral contributionOther


Disentangling molecular pathways after light irradiation

Leticia Gonzalez Herrero (Invited speaker)

1 Sep 20135 Sep 2013

Activity: Talks and presentationsTalk or oral contributionOther


Laser-induced ultrafast processes described by ab initio molecular dynamics

Leticia Gonzalez Herrero (Invited speaker)

28 Jul 20132 Aug 2013

Activity: Talks and presentationsTalk or oral contributionOther


Photochemistry of DNA/RNA nucleobases

Leticia Gonzalez Herrero (Invited speaker)

14 Jul 201319 Jul 2013

Activity: Talks and presentationsTalk or oral contributionOther


Illuminating molecules: molecular photochemistry from first principles

Leticia Gonzalez Herrero (Invited speaker)

24 Jun 201326 Jun 2013

Activity: Talks and presentationsTalk or oral contributionOther


The art of relaxing. Understanding photochemistry from first principles

Leticia Gonzalez Herrero (Invited speaker)

3 Jun 20134 Jun 2013

Activity: Talks and presentationsTalk or oral contributionOther


Chemistry in molecular movies: Understanding photoinduced

Leticia Gonzalez Herrero (Invited speaker)

2 Apr 2013

Activity: Talks and presentationsTalk or oral contributionOther


Intersystem crossing on a femtosecond time-scale in organic molecules

Leticia Gonzalez Herrero (Speaker)

23 Sep 2012

Activity: Talks and presentationsTalk or oral contributionOther


Non adiabatic surface-hopping dynamics including spin forbidden transitions and laser interactions

Leticia Gonzalez Herrero (Invited speaker)

2 Sep 2012

Activity: Talks and presentationsTalk or oral contributionOther


Modeling ultrafast photoinduced reactions in the presence of arbitrary couplings with ab initio molecular dynamics

Leticia Gonzalez Herrero (Invited speaker)

19 Aug 2012

Activity: Talks and presentationsTalk or oral contributionOther


The role of intersystem crossing in photochemistry

Leticia Gonzalez Herrero (Invited speaker)

22 Jul 2012

Activity: Talks and presentationsTalk or oral contributionOther


Understanding photochemistry using ab initio surface-hopping dynamics

Leticia Gonzalez Herrero (Invited speaker)

20 Jun 2012

Activity: Talks and presentationsTalk or oral contributionOther


Theory for dynamics and control of ultrafast chemical reactions

Leticia Gonzalez Herrero (Speaker)

11 Jun 2012

Activity: Talks and presentationsTalk or oral contributionOther


Modelling nonadiabatic photochemistry using mixed quantum-classical dynamics simulations

Leticia Gonzalez Herrero (Speaker)

21 May 2012

Activity: Talks and presentationsTalk or oral contributionOther


Photoinduced dynamics and laser control in organic systems

Leticia Gonzalez Herrero (Keynote speaker)

21 Mar 2012

Activity: Talks and presentationsTalk or oral contributionOther


Photochemistry and control from first principles: from quantum dynamics to molecular dynamics and back

Leticia Gonzalez Herrero (Keynote speaker)

28 Feb 2012

Activity: Talks and presentationsTalk or oral contributionOther


Nonadiabatic photochemistry using mixed quantum-classical dynamics simulations

Leticia Gonzalez Herrero (Speaker)

23 Feb 2012

Activity: Talks and presentationsTalk or oral contributionOther


Molecular Dynamics Simulations in Molecular Motors

Wen, J. & Gonzalez Herrero, L.

1/09/199/10/21

Project: Research funding


C3: Watching a Catalyst Function

Gonzalez Herrero, L., Peneva, K., Dietzek, B., Streb, C., Graefe, S., Gross, A. & Rau, S.

12/10/1811/10/22

Project: Research funding



Modulation spannungsaktivierter K+-kanäle durch Ru-Komplexe

Sánchez Murcia, P. A. & Gonzalez Herrero, L.

1/10/1730/09/19

Project: Research funding


Photodynamik der lichtaktivierbaren Platin-Antikrebsmittel

Freitag, L. & Gonzalez Herrero, L.

1/10/1631/01/21

Project: Research funding



SOLARACT : SOLARACT

Gonzalez Herrero, L.

1/04/1631/03/18

Project: Research funding


Angeregte Zustände und Dynamik

Gonzalez Herrero, L.

17/12/1516/12/18

Project: Research funding


TCCM

Gonzalez Herrero, L.

1/01/1531/12/18

Project: Research funding


PHOTOBLUE

Gonzalez Herrero, L.

1/07/1330/06/15

Project: Research funding


Ultrakurzzeitdynamik-DNS/RNS

Gonzalez Herrero, L.

14/05/1313/05/16

Project: Research funding


Molecular Drug Targets

Hering, S., Ecker, G., Maulide, N., Weinzinger, A. & Gonzalez Herrero, L.

1/12/1031/12/22

Project: Research funding


Department of Theoretical Chemistry

Deputy Head

Währinger Straße 17
1090 Wien
Room: 412

T: +43-1-4277-52750

leticia.gonzalez@univie.ac.at