Leticia Gonzalez
Leticia Gonzalez
Adresse e-mail validée de univie.ac.at - Page d'accueil
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Deciphering the reaction dynamics underlying optimal control laser fields
C Daniel, J Full, L González, C Lupulescu, J Manz, A Merli, Š Vajda, ...
Science 299 (5606), 536-539, 2003
4652003
Progress and challenges in the calculation of electronic excited states
L González, D Escudero, L Serrano‐Andrés
ChemPhysChem 13 (1), 28-51, 2012
3272012
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
3162011
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
1782015
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
1612010
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
1602019
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
1602009
High level ab initio and density functional theory studies on methanol–water dimers and cyclic trimer
L González, O Mó, M Yáñez
The Journal of chemical physics 109 (1), 139-150, 1998
1361998
Femtosecond intersystem crossing in the DNA nucleobase cytosine
M Richter, P Marquetand, J Gonzalez-Vazquez, I Sola, L Gonzalez
The journal of physical chemistry letters 3 (21), 3090-3095, 2012
1342012
Selective preparation of enantiomers by laser pulses: quantum model simulation for H2POSH
Y Fujimura, L González, K Hoki, J Manz, Y Ohtsuki
Chemical physics letters 306 (1-2), 1-8, 1999
1271999
High‐level ab initio versus DFT calculations on (H2O2) 2 and H2O2–H2O complexes as prototypes of multiple hydrogen bond systems
L González, O Mó, M Yáñez
Journal of computational chemistry 18 (9), 1124-1135, 1997
1241997
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), 5494-5498, 2011
1232011
The IPEA dilemma in CASPT2
JP Zobel, JJ Nogueira, L González
Chemical science 8 (2), 1482-1499, 2017
1212017
Density functional theory study on ethanol dimers and cyclic ethanol trimers
L González, O Mó, M Yáñez
The Journal of chemical physics 111 (9), 3855-3861, 1999
1141999
Analysis and control of laser induced fragmentation processes in CpMn (CO) 3
C Daniel, J Full, L González, C Kaposta, M Krenz, C Lupulescu, J Manz, ...
Chemical Physics 267 (1-3), 247-260, 2001
1132001
Very strong hydrogen bonds in neutral molecules: the phosphinic acid dimers
L González, O Mó, M Yáñez, J Elguero
The Journal of chemical physics 109 (7), 2685-2693, 1998
1131998
Nonadiabatic dynamics: The SHARC approach
S Mai, P Marquetand, L González
Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (6), e1370, 2018
1102018
Cooperative effects in water trimers. The performance of density functional approaches
L González, O Mó, M Yáñez, J Elguero
Journal of Molecular Structure: THEOCHEM 371, 1-10, 1996
1081996
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), 1-8, 2016
1062016
High-level ab initio calculations on the intramolecular hydrogen bond in thiomalonaldehyde
L González, O Mó, M Yáñez
The Journal of Physical Chemistry A 101 (50), 9710-9719, 1997
1061997
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