Leticia González

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Jesús González-VázquezUniversidad Autónoma de MadridVerifierad e-postadress på uam.es
Juan Jose Nogueira PérezAutonomous University of MadridVerifierad e-postadress på uam.es
Nuno MaulideUniversität WienVerifierad e-postadress på univie.ac.at
Felix PlasserLoughborough UniversityVerifierad e-postadress på lboro.ac.uk
Daniel EscuderoKU Leuven ([email protected])Verifierad e-postadress på kuleuven.be
Markus OppelSenior Scientist, Theoretical Chemistry, University of ViennaVerifierad e-postadress på univie.ac.at
Ines Corral PérezProfesora Contratada Doctor, Universidad Autónoma de MadridVerifierad e-postadress på uam.es
Martin RichterDassault Systemes Deutschland GmbHVerifierad e-postadress på 3ds.com
Boris MaryasinUniversity of ViennaVerifierad e-postadress på univie.ac.at
Chantal DanielUniversité de Strasbourg-CNRSVerifierad e-postadress på unistra.fr
Benjamin DietzekProfessor für Physikalische Chemie, IPHT Jena und Friedrich-Schiller-Universität JenaVerifierad e-postadress på ipht-jena.de
Patrick ZobelPostDoc at University of ViennaVerifierad e-postadress på univie.ac.at
Otilia MoUniversidad Autónoma de MadridVerifierad e-postadress på uam.es
Ignacio R. SolaUniversidad ComplutenseVerifierad e-postadress på quim.ucm.es
Sven RauProfessor für Anorganische Chemie Universität UlmVerifierad e-postadress på uni-ulm.de
Ulrich S. SchubertFriedrich Schiller University Jena, Laboratory of Organic and Macromolecular Chemistry, Germany; MaxVerifierad e-postadress på uni-jena.de
Antonio MonariUniversité Paris Cité and CNRS, ITODYSVerifierad e-postadress på u-paris.fr
Tamás RozgonyiWigner Research Centre for PhysicsVerifierad e-postadress på wigner.hu
P A Sánchez-MurciaInvestigadorVerifierad e-postadress på uah.es
Maximilian F. S. J. MengerUniversity of GroningenVerifierad e-postadress på rug.nl

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Leticia González

University of Vienna, Faculty of Chemistry, Professor for Theoretical Chemistry

Verifierad e-postadress på univie.ac.at - Startsida

electronic structure theory non-adiabatic dynamics photochemistry computational spectroscopy


Titel Sortera efter citat Sortera efter år Sortera efter titel	Citeras av Citeras av	År
OpenMolcas: From source code to insight I Fdez. Galván, M Vacher, A Alavi, C Angeli, F Aquilante, J Autschbach, ... Journal of chemical theory and computation 15 (11), 5925-5964, 2019	867*	2019
SHARC: ab Initio Molecular Dynamics with Surface Hopping in the Adiabatic Representation Including Arbitrary Couplings M Richter, P Marquetand, J González-Vázquez, I Sola, L González Journal of chemical theory and computation 7 (5), 1253-1258, 2011	544	2011
Deciphering the reaction dynamics underlying optimal control laser fields C Daniel, J Full, L González, C Lupulescu, J Manz, A Merli, S Vajda, ... Science 299 (5606), 536-539, 2003	487	2003
Progress and challenges in the calculation of electronic excited states L González, D Escudero, L Serrano‐Andrés ChemPhysChem 13 (1), 28-51, 2012	473	2012
Nonadiabatic dynamics: The SHARC approach S Mai, P Marquetand, L González Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (6), e1370, 2018	434	2018
A general method to describe intersystem crossing dynamics in trajectory surface hopping S Mai, P Marquetand, L González International Journal of Quantum Chemistry 115 (18), 1215-1231, 2015	313	2015
The IPEA dilemma in CASPT2 JP Zobel, JJ Nogueira, L González Chemical science 8 (2), 1482-1499, 2017	250	2017
Efficient and flexible computation of many-electron wave function overlaps F Plasser, M Ruckenbauer, S Mai, M Oppel, P Marquetand, L González Journal of chemical theory and computation 12 (3), 1207-1219, 2016	199	2016
Machine learning enables long time scale molecular photodynamics simulations J Westermayr, M Gastegger, MFSJ Menger, S Mai, L González, ... Chemical science 10 (35), 8100-8107, 2019	198	2019
The origin of efficient triplet state population in sulfur-substituted nucleobases S Mai, M Pollum, L Martínez-Fernández, N Dunn, P Marquetand, I Corral, ... Nature communications 7 (1), 13077, 2016	197	2016
Photochemical fate: the first step determines efficiency of H2 formation with a supramolecular photocatalyst S Tschierlei, M Karnahl, M Presselt, B Dietzek, J Guthmuller, L González, ... Angewandte Chemie International Edition 49 (23), 3981-3984, 2010	190	2010
Femtosecond intersystem crossing in the DNA nucleobase cytosine M Richter, P Marquetand, J Gonzalez-Vazquez, I Sola, L González The journal of physical chemistry letters 3 (21), 3090-3095, 2012	184	2012
Phenyl-1H-[1,2,3]triazoles as New Cyclometalating Ligands for Iridium(III) Complexes B Beyer, C Ulbricht, D Escudero, C Friebe, A Winter, L González, ... Organometallics 28 (18), 5478-5488, 2009	181	2009
Molecular photochemistry: recent developments in theory S Mai, L González Angewandte Chemie International Edition 59 (39), 16832-16846, 2020	162	2020
Intersystem crossing pathways in the noncanonical nucleobase 2-thiouracil: A time-dependent picture S Mai, P Marquetand, L González The journal of physical chemistry letters 7 (11), 1978-1983, 2016	150	2016
A Heteroleptic Bis (tridentate) Ruthenium (II) Complex of a Click‐Derived Abnormal Carbene Pincer Ligand with Potential for Photosensitzer Application B Schulze, D Escudero, C Friebe, R Siebert, H Görls, U Köhn, E Altuntas, ... Chemistry-a European Journal 17 (20), 5494, 2011	150	2011
Quantum chemistry and dynamics of excited states: Methods and applications L González, R Lindh John Wiley & Sons, 2020	147	2020
High level ab initio and density functional theory studies on methanol–water dimers and cyclic methanol (water) 2 trimer L González, O Mó, M Yáñez The Journal of chemical physics 109 (1), 139-150, 1998	146	1998
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry G Li Manni, I Fdez. Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, ... Journal of chemical theory and computation 19 (20), 6933-6991, 2023	139	2023
Chemo-and stereoselective transition-metal-free amination of amides with azides V Tona, A de la Torre, M Padmanaban, S Ruider, L Gonzalez, N Maulide Journal of the American Chemical Society 138 (27), 8348-8351, 2016	137	2016

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