Leticia González

ResearcherID Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 136

Top Venues

Journal of chemical theory and computation

Journal of the American Chemical Society

The journal of physical chemistry letters

Chemical science

This page only lists publications with an associated author ORCID identifier.

Publications

Severin Polonius, David Lehrner, Leticia González, Sebastian Mai
Resolving Photoinduced Femtosecond Three-Dimensional Solute-Solvent Dynamics through Surface Hopping Simulations. Journal of chemical theory and computation (2024)
Richard Jacobi, Leticia González
Resonance energy transfer in orthogonally arranged chromophores: a question of molecular representation. Physical chemistry chemical physics : PCCP 26 (16) (2024)
Tomislav Piteša, Severin Polonius, Leticia González, Sebastian Mai
Excitonic Configuration Interaction: Going Beyond the Frenkel Exciton Model. Journal of chemical theory and computation (2024)
Anna F Tiefel, Daniel J Grenda, Carina Allacher, Elias Harrer, Carolin H Nagel, Roger Jan Kutta, David Hernández-Castillo, Poorva R Narasimhamurthy, Kirsten Zeitler, Leticia González, Julia Rehbein, Patrick Nuernberger, Alexander Breder
Unimolecular net heterolysis of symmetric and homopolar σ-bonds. Nature 632 (8025) (2024)
Julia Franz, Manuel Oelschlegel, J Patrick Zobel, Shao-An Hua, Jan-Hendrik Borter, Lucius Schmid, Giacomo Morselli, Oliver S Wenger, Dirk Schwarzer, Franc Meyer, Leticia González
Bifurcation of Excited-State Population Leads to Anti-Kasha Luminescence in a Disulfide-Decorated Organometallic Rhenium Photosensitizer. Journal of the American Chemical Society (2024)
Julia Franz, Manuel Oelschlegel, J Patrick Zobel, Shao-An Hua, Jan-Hendrik Borter, Lucius Schmid, Giacomo Morselli, Oliver S Wenger, Dirk Schwarzer, Franc Meyer, Leticia González
Bifurcation of Excited-State Population Leads to Anti-Kasha Luminescence in a Disulfide-Decorated Organometallic Rhenium Photosensitizer. Journal of the American Chemical Society (2024)
Tomislav Piteša, Severin Polonius, Leticia González, Sebastian Mai
Excitonic Configuration Interaction: Going Beyond the Frenkel Exciton Model. Journal of chemical theory and computation 20 (13) (2024)
Anna F Tiefel, Daniel J Grenda, Carina Allacher, Elias Harrer, Carolin H Nagel, Roger Jan Kutta, David Hernández-Castillo, Poorva R Narasimhamurthy, Kirsten Zeitler, Leticia González, Julia Rehbein, Patrick Nuernberger, Alexander Breder
Unimolecular net heterolysis of symmetric and homopolar σ-bonds. Nature 632 (8025) (2024)
Severin Polonius, David Lehrner, Leticia González, Sebastian Mai
Resolving Photoinduced Femtosecond Three-Dimensional Solute-Solvent Dynamics through Surface Hopping Simulations. Journal of chemical theory and computation 20 (11) (2024)
Nicolas G-Simonian, Philipp Spieß, Margaux Riomet, Boris Maryasin, Immo Klose, Alexander Beaton Garcia, Laurin Pollesböck, Dainis Kaldre, Uroš Todorovic, Julia Minghua Liu, Daniel Kaiser, Leticia González, Nuno Maulide
Stereodivergent Synthesis of 1,4-Dicarbonyl Compounds through Sulfonium Rearrangement: Mechanistic Investigation, Stereocontrolled Access to γ-Lactones and γ-Lactams, and Total Synthesis of Paraconic Acids. Journal of the American Chemical Society 146 (20) (2024)
Iakovos Saridakis, Margaux Riomet, Oliver John V Belleza, Guilhem Coussanes, Nadja K Singer, Nina Kastner, Yi Xiao, Elliot Smith, Veronica Tona, Aurélien de la Torre, Eric F Lopes, Pedro A Sánchez-Murcia, Leticia González, Harald H Sitte, Nuno Maulide
PyrAtes: Modular Organic Salts with Large Stokes Shifts for Fluo-rescence Microscopy. Angewandte Chemie (International ed. in English) (2024)
Roberto Tinelli, Manuel Schupp, Immo Klose, Saad Shaaban, Boris Maryasin, Leticia González, Nuno Maulide
Diastereoselective hydride transfer enables a synthesis of chiral 1,5-carboxamido-trifluoromethylcarbinols. Chemical science (2024)
Richard Jacobi, Leticia González
Resonance energy transfer in orthogonally arranged chromophores: a question of molecular representation. Physical chemistry chemical physics : PCCP (2024)
Iakovos Saridakis, Margaux Riomet, Oliver John V Belleza, Guilhem Coussanes, Nadja K Singer, Nina Kastner, Yi Xiao, Elliot Smith, Veronica Tona, Aurélien de la Torre, Eric F Lopes, Pedro A Sánchez-Murcia, Leticia González, Harald H Sitte, Nuno Maulide
PyrAtes: Modular Organic Salts with Large Stokes Shifts for Fluo-rescence Microscopy. Angewandte Chemie (International ed. in English) 63 (19) (2024)
Nicolas G-Simonian, Philipp Spieß, Margaux Riomet, Boris Maryasin, Immo Klose, Alexander Beaton Garcia, Laurin Pollesböck, Dainis Kaldre, Uroš Todorovic, Julia Minghua Liu, Daniel Kaiser, Leticia González, Nuno Maulide
Stereodivergent Synthesis of 1,4-Dicarbonyl Compounds through Sulfonium Rearrangement: Mechanistic Investigation, Stereocontrolled Access to γ-Lactones and γ-Lactams, and Total Synthesis of Paraconic Acids. Journal of the American Chemical Society 146 (20) (2024)
Richard Jacobi, Leticia González
Resonance energy transfer in orthogonally arranged chromophores: a question of molecular representation. Physical chemistry chemical physics : PCCP 26 (16) (2024)
Tomislav Piteša, Severin Polonius, Leticia González, Sebastian Mai
Excitonic Configuration Interaction: Going Beyond the Frenkel Exciton Model. Journal of chemical theory and computation 20 (13) (2024)
Julia Franz, Manuel Oelschlegel, J Patrick Zobel, Shao-An Hua, Jan-Hendrik Borter, Lucius Schmid, Giacomo Morselli, Oliver S Wenger, Dirk Schwarzer, Franc Meyer, Leticia González
Bifurcation of Excited-State Population Leads to Anti-Kasha Luminescence in a Disulfide-Decorated Organometallic Rhenium Photosensitizer. Journal of the American Chemical Society (2024)
Severin Polonius, David Lehrner, Leticia González, Sebastian Mai
Resolving Photoinduced Femtosecond Three-Dimensional Solute-Solvent Dynamics through Surface Hopping Simulations. Journal of chemical theory and computation 20 (11) (2024)
Tomislav Piteša, Severin Polonius, Leticia González, Sebastian Mai
Excitonic Configuration Interaction: Going Beyond the Frenkel Exciton Model. Journal of chemical theory and computation 20 (13) (2024)
Richard Jacobi, Leticia González
Resonance energy transfer in orthogonally arranged chromophores: a question of molecular representation. Physical chemistry chemical physics : PCCP 26 (16) (2024)
Iakovos Saridakis, Margaux Riomet, Oliver John V Belleza, Guilhem Coussanes, Nadja K Singer, Nina Kastner, Yi Xiao, Elliot Smith, Veronica Tona, Aurélien de la Torre, Eric F Lopes, Pedro A Sánchez-Murcia, Leticia González, Harald H Sitte, Nuno Maulide
PyrAtes: Modular Organic Salts with Large Stokes Shifts for Fluo-rescence Microscopy. Angewandte Chemie (International ed. in English) 63 (19) (2024)
Nicolas G-Simonian, Philipp Spieß, Margaux Riomet, Boris Maryasin, Immo Klose, Alexander Beaton Garcia, Laurin Pollesböck, Dainis Kaldre, Uroš Todorovic, Julia Minghua Liu, Daniel Kaiser, Leticia González, Nuno Maulide
Stereodivergent Synthesis of 1,4-Dicarbonyl Compounds through Sulfonium Rearrangement: Mechanistic Investigation, Stereocontrolled Access to γ-Lactones and γ-Lactams, and Total Synthesis of Paraconic Acids. Journal of the American Chemical Society (2024)
Nicolas G-Simonian, Philipp Spieß, Margaux Riomet, Boris Maryasin, Immo Klose, Alexander Beaton Garcia, Laurin Pollesböck, Dainis Kaldre, Uroš Todorovic, Julia Minghua Liu, Daniel Kaiser, Leticia González, Nuno Maulide
Stereodivergent Synthesis of 1,4-Dicarbonyl Compounds through Sulfonium Rearrangement: Mechanistic Investigation, Stereocontrolled Access to γ-Lactones and γ-Lactams, and Total Synthesis of Paraconic Acids. Journal of the American Chemical Society 146 (20) (2024)
Severin Polonius, David Lehrner, Leticia González, Sebastian Mai
Resolving Photoinduced Femtosecond Three-Dimensional Solute-Solvent Dynamics through Surface Hopping Simulations. Journal of chemical theory and computation 20 (11) (2024)
Sascha Mausenberger, Carolin Müller, Alexandre Tkatchenko, Philipp Marquetand, Leticia González, Julia Westermayr
SpaiNN: equivariant message passing for excited-state nonadiabatic molecular dynamics. Chemical science (2024)
Anna F Tiefel, Daniel J Grenda, Carina Allacher, Elias Harrer, Carolin H Nagel, Roger Jan Kutta, David Hernández-Castillo, Poorva R Narasimhamurthy, Kirsten Zeitler, Leticia González, Julia Rehbein, Patrick Nuernberger, Alexander Breder
Unimolecular net heterolysis of symmetric and homopolar σ-bonds. Nature 632 (8025) (2024)
Anna F Tiefel, Daniel J Grenda, Carina Allacher, Elias Harrer, Carolin H Nagel, Roger Jan Kutta, David Hernández-Castillo, Poorva R Narasimhamurthy, Kirsten Zeitler, Leticia González, Julia Rehbein, Patrick Nuernberger, Alexander Breder
Unimolecular net heterolysis of symmetric and homopolar σ-bonds. Nature 632 (8025) (2024)
Madlen Maria Reiner, Brigitta Bachmair, Maximilian Xaver Tiefenbacher, Sebastian Mai, Leticia González, Philipp Marquetand, Christoph Dellago
Nonadiabatic Forward Flux Sampling for Excited-State Rare Events. Journal of chemical theory and computation (2023)
Nadja K Singer, Leticia González, Antonio Monari
Molecular Photoswitches Regulating the Activity of the Human Serotonin Transporter. The journal of physical chemistry letters (2023)
Nadja K Singer, Katharina Schlögl, J Patrick Zobel, Marko D Mihovilovic, Leticia González
Singlet and Triplet Pathways Determine the Thermal Z / E Isomerization of an Arylazopyrazole-Based Photoswitch. The journal of physical chemistry letters (2023)
Mark Stitch, Davide Avagliano, Daniel Graczyk, Ian P Clark, Leticia González, Michael Towrie, Susan J Quinn
Good Vibrations Report on the DNA Quadruplex Binding of an Excited State Amplified Ruthenium Polypyridyl IR Probe. Journal of the American Chemical Society (2023)
J Patrick Zobel, Hanna Radatz, Leticia González
Photodynamics of the Molecular Ruby [Cr(ddpd) 2 ] 3 . Molecules (Basel, Switzerland) 28 (4) (2023)
David Hernández-Castillo, Roland E P Nau, Marie-Ann Schmid, Stefanie Tschierlei, Sven Rau, Leticia González
Mehrere Triplett-Metall-zentrierte Jahn-Teller-Isomere bestimmen die temperaturabhängigen Lumineszenzlebensdauern in [Ru(bpy) 3 ] 2 . Angewandte Chemie (Weinheim an der Bergstrasse, Germany) 135 (48) (2023)
J Patrick Zobel, Ayla Kruse, Omar Baig, Stefan Lochbrunner, Sergey I Bokarev, Oliver Kühn, Leticia González, Olga S Bokareva
Can range-separated functionals be optimally tuned to predict spectra and excited state dynamics in photoactive iron complexes? Chemical science 14 (6) (2023)
J Patrick Zobel, Ayla Kruse, Omar Baig, Stefan Lochbrunner, Sergey I Bokarev, Oliver Kühn, Leticia González, Olga S Bokareva
Can range-separated functionals be optimally tuned to predict spectra and excited state dynamics in photoactive iron complexes? Chemical science 14 (6) (2023)
Jin Wen, Sebastian Mai, Leticia González
Excited-State Dynamics Simulations of a Light-Driven Molecular Motor in Solution. The journal of physical chemistry. A (2023)
David Hernández-Castillo, Roland E P Nau, Marie-Ann Schmid, Stefanie Tschierlei, Sven Rau, Leticia González
Mehrere Triplett-Metall-zentrierte Jahn-Teller-Isomere bestimmen die temperaturabhängigen Lumineszenzlebensdauern in [Ru(bpy) 3 ] 2 . Angewandte Chemie (Weinheim an der Bergstrasse, Germany) 135 (48) (2023)
Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi, Flavia Aleotti, Francesco Aquilante, Jochen Autschbach, Davide Avagliano, Alberto Baiardi, Jie J Bao, Stefano Battaglia, Letitia Birnoschi, Alejandro Blanco-González, Sergey I Bokarev, Ria Broer, Roberto Cacciari, Paul B Calio, Rebecca K Carlson, Rafael C Couto, Luis Cerdán, Liviu F Chibotaru, Nicholas F Chilton, Jonathan Richard Church, Irene Conti, Sonia Coriani, Juliana Cuéllar-Zuquin, Razan E Daoud, Nike Dattani, Piero Decleva, Coen de Graaf, Mickaël G Delcey, Luca De Vico, Werner Dobrautz, Sijia S Dong, Rulin Feng, Nicolas Ferré, Michael Filatov Gulak, Soumen Ghosh, Marco Garavelli, Leticia González, Yafu Guan, Meiyuan Guo, Matthew R Hennefarth, Matthew R Hermes, Chad E Hoyer, Miquel Huix-Rotllant, Vishal Kumar Jaiswal, Andy Kaiser, Danil S Kaliakin, Marjan Khamesian, Daniel S King, Vladislav Kochetov, Marek Krośnicki, Arpit Arun Kumaar, Ernst Dennis Larsson, Susi Lehtola, Marie-Bernadette Lepetit, Hans Lischka, Pablo López Ríos, Marcus Lundberg, Dongxia Ma, Sebastian Mai, Philipp Marquetand, Isabella C D Merritt, Francesco Montorsi, Maximilian Mörchen, Artur Nenov, Vu Ha Anh Nguyen, Yoshio Nishimoto, Meagan S Oakley, Massimo Olivucci, Markus Oppel, Daniele Padula, Riddhish Pandharkar, Quan Manh Phung, Felix Plasser, Gerardo Raggi, Elisa Rebolini, Markus Reiher, Ivan Rivalta, Daniel Roca-Sanjuán, Thies Romig, Arta Anushirwan Safari, Aitor Sánchez-Mansilla, Andrew M Sand, Igor Schapiro, Thais R Scott, Javier Segarra-Marti, Francesco Segatta, Dumitru-Claudiu Sergentu, Prachi Sharma, Ron Shepard, Yinan Shu, Jakob K Staab, Tjerk P Straatsma, Lasse Kragh Sørensen, Bruno Nunes Cabral Tenorio, Donald G Truhlar, Liviu Ungur, Morgane Vacher, Valera Veryazov, Torben Arne Voß, Oskar Weser, Dihua Wu, Xuchun Yang, David R Yarkony, Chen Zhou, J Patrick Zobel, Roland Lindh
The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry. Journal of chemical theory and computation (2023)
Ludwig Schwiedrzik, Tina Rajkovic, Leticia González
Regeneration and Degradation in a Biomimetic Polyoxometalate Water Oxidation Catalyst. ACS catalysis 13 (5) (2023)
Dóra Vörös, Andrea Angeletti, Cesare Franchini, Sebastian Mai, Leticia González
Adsorption of 4-( N , N -Dimethylamino)-4'-nitrostilbene on an Amorphous Silica Glass Surface. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (47) (2023)
J Patrick Zobel, Hanna Radatz, Leticia González
Photodynamics of the Molecular Ruby [Cr(ddpd) 2 ] 3 . Molecules (Basel, Switzerland) 28 (4) (2023)
Novitasari Sinambela, Richard Jacobi, David Hernández-Castillo, Elisabeth Hofmeister, Nina Hagmeyer, Benjamin Dietzek-Ivanšić, Leticia González, Andrea Pannwitz
Alignment and photooxidation dynamics of a perylene diimide chromophore in lipid bilayers. Molecular systems design & engineering 8 (7) (2023)
Ludwig Schwiedrzik, Tina Rajkovic, Leticia González
Regeneration and Degradation in a Biomimetic Polyoxometalate Water Oxidation Catalyst. ACS catalysis 13 (5) (2023)
J Patrick Zobel, Hanna Radatz, Leticia González
Photodynamics of the Molecular Ruby [Cr(ddpd) 2 ] 3 . Molecules (Basel, Switzerland) 28 (4) (2023)
J Patrick Zobel, Hanna Radatz, Leticia González
Photodynamics of the Molecular Ruby [Cr(ddpd) 2 ] 3 . Molecules (Basel, Switzerland) 28 (4) (2023)
J Patrick Zobel, Anna M Wernbacher, Leticia González
Efficient Reverse Intersystem Crossing in Carbene-Copper-Amide TADF Emitters via an Intermediate Triplet State. Angewandte Chemie (International ed. in English) (2023)
Nadja K Singer, Pedro A Sánchez-Murcia, Margot Ernst, Leticia González
Unravelling the Turn-On Fluorescence Mechanism of a Fluorescein-Based Probe in GABA A Receptors. Angewandte Chemie (Weinheim an der Bergstrasse, Germany) 134 (30) (2022)
Davide Avagliano, Emilio Lorini, Leticia González
Sampling effects in quantum mechanical/molecular mechanics trajectory surface hopping non-adiabatic dynamics. Philosophical transactions. Series A, Mathematical, physical, and engineering sciences 380 (2223) (2022)
Julia Westermayr, Michael Gastegger, Dóra Vörös, Lisa Panzenboeck, Florian Joerg, Leticia González, Philipp Marquetand
Deep learning study of tyrosine reveals that roaming can lead to photodamage. Nature chemistry 14 (8) (2022)
Adam Šrut, Sebastian Mai, Igor V Sazanovich, Jan Heyda, Antonín Vlček, Leticia González, Stanislav Záliš
Nonadiabatic excited-state dynamics of ReCl(CO) 3 (bpy) in two different solvents. Physical chemistry chemical physics : PCCP 24 (42) (2022)
Moritz Heindl, Leticia González
Taming Disulfide Bonds with Laser Fields. Nonadiabatic Surface-Hopping Simulations in a Ruthenium Complex. The journal of physical chemistry letters 13 (8) (2022)
Nadja K Singer, Pedro A Sánchez-Murcia, Margot Ernst, Leticia González
Unravelling the Turn-On Fluorescence Mechanism of a Fluorescein-Based Probe in GABA A Receptors. Angewandte Chemie (Weinheim an der Bergstrasse, Germany) 134 (30) (2022)
Nadja K Singer, Pedro A Sánchez-Murcia, Margot Ernst, Leticia González
Unravelling the Turn-On Fluorescence Mechanism of a Fluorescein-Based Probe in GABA A Receptors. Angewandte Chemie (International ed. in English) 61 (30) (2022)
Richard Jacobi, David Hernández-Castillo, Novitasari Sinambela, Julian Bösking, Andrea Pannwitz, Leticia González
Computation of Förster Resonance Energy Transfer in Lipid Bilayer Membranes. The journal of physical chemistry. A 126 (43) (2022)
Manuel Oelschlegel, Shao-An Hua, Lucius Schmid, Philipp Marquetand, Anna Bäck, Jan-Hendrik Borter, Jana Lücken, Sebastian Dechert, Oliver S Wenger, Inke Siewert, Dirk Schwarzer, Leticia González, Franc Meyer
Luminescent Iridium Complexes with a Sulfurated Bipyridine Ligand: PCET Thermochemistry of the Disulfide Unit and Photophysical Properties. Inorganic chemistry 61 (35) (2022)
Marco Franceschini, Martina Crosta, Rúben R Ferreira, Daniele Poletto, Nicola Demitri, J Patrick Zobel, Leticia González, Davide Bonifazi
peri -Acenoacene Ribbons with Zigzag BN-Doped Peripheries. Journal of the American Chemical Society 144 (47) (2022)
Jérémy Merad, Phillip S Grant, Tobias Stopka, Juliette Sabbatani, Ricardo Meyrelles, Alexander Preinfalk, Ján Matyasovsky, Boris Maryasin, Leticia González, Nuno Maulide
Direct Stereodivergent Olefination of Carbonyl Compounds with Sulfur Ylides. Journal of the American Chemical Society 144 (27) (2022)
Danillo Valverde, Sebastian Mai, Sylvio Canuto, Antonio Carlos Borin, Leticia González
Ultrafast Intersystem Crossing Dynamics of 6-Selenoguanine in Water. JACS Au 2 (7) (2022)
Diana Bregenholt Zederkof, Klaus Braagaard Mo Ller, Martin M Nielsen, Kristoffer Haldrup, Leticia González, Sebastian Mai
Resolving Femtosecond Solvent Reorganization Dynamics in an Iron Complex by Nonadiabatic Dynamics Simulations. Journal of the American Chemical Society 144 (28) (2022)
Fabian L Huber, Anna M Wernbacher, Daniel Perleth, Djawed Nauroozi, Leticia González, Sven Rau
A Ruthenium(II) Water Oxidation Catalyst Containing a pH-Responsive Ligand Framework. Inorganic chemistry 60 (17) (2021)
Gustavo Cárdenas, Ivan Trentin, Ludwig Schwiedrzik, David Hernández-Castillo, Grace A Lowe, Julian Kund, Christine Kranz, Sarah Klingler, Robert Stach, Boris Mizaikoff, Philipp Marquetand, Juan J Nogueira, Carsten Streb, Leticia González
Activation by oxidation and ligand exchange in a molecular manganese vanadium oxide water oxidation catalyst. Chemical science 12 (39) (2021)
Ye-Guang Fang, Danillo Valverde, Sebastian Mai, Sylvio Canuto, Antonio Carlos Borin, Ganglong Cui, Leticia González
Excited-State Properties and Relaxation Pathways of Selenium-Substituted Guanine Nucleobase in Aqueous Solution and DNA Duplex. The journal of physical chemistry. B 125 (7) (2021)
Ludwig Schwiedrzik, Vera Brieskorn, Leticia González
Flexibility Enhances Reactivity: Redox Isomerism and Jahn-Teller Effects in a Bioinspired Mn4O4 Cubane Water Oxidation Catalyst. ACS catalysis 11 (21) (2021)
Sebastian Mai, Marcus Holzer, Anastasia Andreeva, Leticia González
Jahn-Teller Effects in a Vanadate-Stabilized Manganese-Oxo Cubane Water Oxidation Catalyst. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (68) (2021)
Niklas Gessner, Anna K Bäck, Johannes Knorr, Christoph Nagel, Philipp Marquetand, Ulrich Schatzschneider, Leticia González, Patrick Nuernberger
Ultrafast photochemistry of a molybdenum carbonyl-nitrosyl complex with a triazacyclononane coligand. Physical chemistry chemical physics : PCCP 23 (42) (2021)
Leon Freitag, Alberto Baiardi, Stefan Knecht, Leticia González
Simplified State Interaction for Matrix Product State Wave Functions. Journal of chemical theory and computation (2021)
J Patrick Zobel, Thomas Knoll, Leticia González
Ultrafast and long-time excited state kinetics of an NIR-emissive vanadium(iii) complex II. Elucidating triplet-to-singlet excited-state dynamics. Chemical science 12 (32) (2021)
Sebastian Mai, Sarah Klingler, Ivan Trentin, Julian Kund, Marcus Holzer, Anastasia Andreeva, Robert Stach, Christine Kranz, Carsten Streb, Boris Mizaikoff, Leticia González
Spectral Signatures of Oxidation States in a Manganese-Oxo Cubane Water Oxidation Catalyst. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (68) (2021)
Davide Avagliano, Matteo Bonfanti, Marco Garavelli, Leticia González
QM/MM Nonadiabatic Dynamics: the SHARC/COBRAMM Approach. Journal of chemical theory and computation 17 (8) (2021)
J Patrick Zobel, Moritz Heindl, Felix Plasser, Sebastian Mai, Leticia González
Surface Hopping Dynamics on Vibronic Coupling Models. Accounts of chemical research 54 (20) (2021)
Moritz Heindl, Jiang Hongyan, Shao-An Hua, Manuel Oelschlegel, Franc Meyer, Dirk Schwarzer, Leticia González
Excited-State Dynamics of [Ru(S-Sbpy)(bpy)2]2+ to Form Long-Lived Localized Triplet States. Inorganic chemistry 60 (3) (2021)
Xiang-Yang Liu, Teng-Shuo Zhang, Qiu Fang, Wei-Hai Fang, Leticia González, Ganglong Cui
Hydrogen-Bond Network Determines the Early Photoisomerization Processes of Cph1 and AnPixJ Phytochromes. Angewandte Chemie (International ed. in English) 60 (34) (2021)
Danillo Valverde, Sebastian Mai, Adalberto Vasconcelos Sanches de Araújo, Sylvio Canuto, Leticia González, Antonio Carlos Borin
On the population of triplet states of 2-seleno-thymine. Physical chemistry chemical physics : PCCP 23 (9) (2021)
J Patrick Zobel, Leticia González
The Quest to Simulate Excited-State Dynamics of Transition Metal Complexes. JACS Au 1 (8) (2021)
Leon Freitag, Leticia González
The Role of Triplet States in the Photodissociation of a Platinum Azide Complex by a Density Matrix Renormalization Group Method. The journal of physical chemistry letters 12 (20) (2021)
Sier Sang, Tobias Unruh, Serhiy Demeshko, Luis I Domenianni, Nicolaas P van Leest, Philipp Marquetand, Felix Schneck, Christian Würtele, Felix J de Zwart, Bas de Bruin, Leticia González, Peter Vöhringer, Sven Schneider
Photo-Initiated Cobalt-Catalyzed Radical Olefin Hydrogenation. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (68) (2021)
Leon Freitag, Leopold Lindenbauer, Markus Oppel, Leticia González
A Density Matrix Renormalization Group Study of the Low-Lying Excited States of a Molybdenum Carbonyl-Nitrosyl Complex. Chemphyschem : a European journal of chemical physics and physical chemistry 22 (22) (2021)
Davide Avagliano, Pedro A Sánchez-Murcia, Leticia González
Spiropyran Meets Guanine Quadruplexes: Isomerization Mechanism and DNA Binding Modes of Quinolizidine-Substituted Spiropyran Probes. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (57) (2020)
Pascal Heim, Sebastian Mai, Bernhard Thaler, Stefan Cesnik, Davide Avagliano, Dimitra Bella-Velidou, Wolfgang E Ernst, Leticia González, Markus Koch
Revealing Ultrafast Population Transfer between Nearly Degenerate Electronic States. The journal of physical chemistry letters 11 (4) (2020)
Maria Elena Castellani, Davide Avagliano, Leticia González, Jan R R Verlet
Site-Specific Photo-oxidation of the Isolated Adenosine-5'-triphosphate Dianion Determined by Photoelectron Imaging. The journal of physical chemistry letters 11 (19) (2020)
Yinan Shu, Linyao Zhang, Sebastian Mai, Shaozeng Sun, Leticia González, Donald G Truhlar
Implementation of Coherent Switching with Decay of Mixing into the SHARC Program. Journal of chemical theory and computation 16 (6) (2020)
Francesco Talotta, Leticia González, Martial Boggio-Pasqua
CASPT2 Potential Energy Curves for NO Dissociation in a Ruthenium Nitrosyl Complex. Molecules (Basel, Switzerland) 25 (11) (2020)
Olga S Bokareva, Omar Baig, Mohammed J Al-Marri, Oliver Kühn, Leticia González
The effect of N-heterocyclic carbene units on the absorption spectra of Fe(II) complexes: a challenge for theory. Physical chemistry chemical physics : PCCP (2020)
Maria S Legina, Juan J Nogueira, Wolfgang Kandioller, Michael A Jakupec, Leticia González, Bernhard K Keppler
Biological evaluation of novel thiomaltol-based organometallic complexes as topoisomerase IIα inhibitors. Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 25 (3) (2020)
Pedro A Sánchez-Murcia, Juan J Nogueira, Felix Plasser, Leticia González
Orbital-free photophysical descriptors to predict directional excitations in metal-based photosensitizers. Chemical science 11 (29) (2020)
Davide Avagliano, Sara Tkaczyk, Pedro A Sánchez-Murcia, Leticia González
Enhanced Rigidity Changes Ultraviolet Absorption: Effect of a Merocyanine Binder on G-Quadruplex Photophysics. The journal of physical chemistry letters 11 (23) (2020)
Sebastian Mai, Leticia González
Molecular Photochemistry: Recent Developments in Theory. Angewandte Chemie (International ed. in English) 59 (39) (2020)
J Patrick Zobel, Olga S Bokareva, Peter Zimmer, Christoph Wölper, Matthias Bauer, Leticia González
Intersystem Crossing and Triplet Dynamics in an Iron(II) N-Heterocyclic Carbene Photosensitizer. Inorganic chemistry 59 (20) (2020)
Jon Del Arco, Almudena Perona, Leticia González, Jesus Fernández Lucas, Federico Gago, Pedro A Sánchez-Murcia
Reaction mechanism of nucleoside 2'-deoxyribosyltransferases: free-energy landscape supports an oxocarbenium ion as the reaction intermediate. Organic & biomolecular chemistry 17 (34) (2020)
Shao-An Hua, Mauricio Cattaneo, Manuel Oelschlegel, Moritz Heindl, Lucius Schmid, Sebastian Dechert, Oliver S Wenger, Inke Siewert, Leticia González, Franc Meyer
Electrochemical and Photophysical Properties of Ruthenium(II) Complexes Equipped with Sulfurated Bipyridine Ligands. Inorganic chemistry 59 (7) (2020)
Francesco Talotta, Martial Boggio-Pasqua, Leticia González
Early Relaxation Dynamics in the Photoswitchable Complex trans-[RuCl(NO)(py)4 ]2. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (50) (2020)
Sebastian Mai, Leticia González
Identification of important normal modes in nonadiabatic dynamics simulations by coherence, correlation, and frequency analyses. The Journal of chemical physics 151 (24) (2020)
Matthias Dorn, Jens Kalmbach, Pit Boden, Ayla Päpcke, Sandra Gómez, Christoph Förster, Felix Kuczelinis, Luca M Carrella, Laura A Büldt, Nicolas H Bings, Eva Rentschler, Stefan Lochbrunner, Leticia González, Markus Gerhards, Michael Seitz, Katja Heinze
A Vanadium(III) Complex with Blue and NIR-II Spin-Flip Luminescence in Solution. Journal of the American Chemical Society 142 (17) (2020)
Lea M Ibele, Pedro A Sánchez-Murcia, Sebastian Mai, Juan J Nogueira, Leticia González
Excimer Intermediates en Route to Long-Lived Charge-Transfer States in Single-Stranded Adenine DNA as Revealed by Nonadiabatic Dynamics. The journal of physical chemistry letters 11 (18) (2020)
Sandra Gómez, Moritz Heindl, András Szabadi, Leticia González
From Surface Hopping to Quantum Dynamics and Back. Finding Essential Electronic and Nuclear Degrees of Freedom and Optimal Surface Hopping Parameters. The journal of physical chemistry. A 123 (38) (2019)
Ignacio Fdez Galván, Morgane Vacher, Ali Alavi, Celestino Angeli, Francesco Aquilante, Jochen Autschbach, Jie J Bao, Sergey I Bokarev, Nikolay A Bogdanov, Rebecca K Carlson, Liviu F Chibotaru, Joel Creutzberg, Nike Dattani, Mickaël G Delcey, Sijia S Dong, Andreas Dreuw, Leon Freitag, Luis Manuel Frutos, Soumen Ghosh, Frédéric Gendron, Angelo Giussani, Leticia González, Gilbert Grell, Meiyuan Guo, Chad E Hoyer, Marcus Johansson, Sebastian Keller, Stefan Knecht, Goran Kovačević, Erik Källman, Giovanni Li Manni, Marcus Lundberg, Yingjin Ma, Sebastian Mai, João Pedro Malhado, Per Åke Malmqvist, Philipp Marquetand, Stefanie A Mewes, Jesper Norell, Massimo Olivucci, Markus Oppel, Quan Manh Phung, Kristine Pierloot, Felix Plasser, Markus Reiher, Andrew M Sand, Igor Schapiro, Prachi Sharma, Christopher J Stein, Lasse Kragh Sørensen, Donald G Truhlar, Mihkel Ugandi, Liviu Ungur, Alessio Valentini, Steven Vancoillie, Valera Veryazov, Oskar Weser, Tomasz Adam Wesołowski, Per-Olof Widmark, Sebastian Wouters, Alexander Zech, J Patrick Zobel, Roland Lindh
OpenMolcas: From Source Code to Insight. Journal of chemical theory and computation 15 (11) (2019)
Carlos R Gonçalves, Miran Lemmerer, Christopher J Teskey, Pauline Adler, Daniel Kaiser, Boris Maryasin, Leticia González, Nuno Maulide
Unified Approach to the Chemoselective α-Functionalization of Amides with Heteroatom Nucleophiles. Journal of the American Chemical Society 141 (46) (2019)
Leticia González, Manuel Alcamí, Fernando Martin
Tribute to Manuel Yáñez and Otilia Mó. The journal of physical chemistry. A 122 (26) (2019)
Dandan Gao, Ivan Trentin, Ludwig Schwiedrzik, Leticia González, Carsten Streb
The Reactivity and Stability of Polyoxometalate Water Oxidation Electrocatalysts. Molecules (Basel, Switzerland) 25 (1) (2019)

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Leticia González