Leticia González

发表

Structure and bonding of Ag(I)–DNA base complexes and Ag(I)–adenine–cytosine mispairs: An ab Initio study

Marko Schreiber, Leticia González, L. González, 2007, J. Comput. Chem..

Exploring density functional subspaces with genetic algorithms

Michael Gastegger, Philipp Marquetand, Leticia González, 2018, Monatshefte für Chemie - Chemical Monthly.

Photochemistry of CH3Mn(CO)5: A multiconfigurational ab initio study

Leticia González, Chantal Daniel, L. González, 2006, J. Comput. Chem..

High-level ab initio versus DFT calculations on (H2O2)2 and H2O2-H2O complexes as prototypes of multiple hydrogen bond systems

Otilia Mó, Manuel Yáñez, Leticia González, 1997, J. Comput. Chem..

COMPUTATIONAL CHEMISTRY AND ORGANIC SYNTHESIS: LET US BUILD A BRIDGE

Daniel Kaiser, Nuno Maulide, Leticia González, 2019 .

Efficient and Flexible Computation of Many-Electron Wave Function Overlaps

Sebastian Mai, Philipp Marquetand, Leticia González, 2016, Journal of chemical theory and computation.

Theoretical investigation of anthracene‐9,10‐endoperoxide vertical singlet and triplet excitation spectra

Leticia González, Inés Corral, L. González, 2008, J. Comput. Chem..

Correction to "SHARC - Ab Initio Molecular Dynamics with Surface Hopping in the Adiabatic Representation Including Arbitrary Couplings" [J. Chem. Theory Comput.2011, 7, 1253-1258].

Philipp Marquetand, Martin Richter, Leticia González, 2012, Journal of chemical theory and computation.

Spectroscopic Properties of Azobenzene-Based pH Indicator Dyes: A Quantum Chemical and Experimental Study.

Daniel Escudero, Sabine Trupp, Leticia González, 2011, Journal of chemical theory and computation.

Detailed Wave Function Analysis for Multireference Methods: Implementation in the Molcas Program Package and Applications to Tetracene.

Andreas Dreuw, Leticia González, Stefanie A Mewes, 2017, Journal of chemical theory and computation.

Non-adiabatic dynamics in SO2: II. The role of triplet states studied by surface-hopping simulations

Philipp Marquetand, Leticia González, P. Marquetand, 2013 .

Beyond the molecular orbital conception of electronically excited states through the quantum theory of atoms in molecules.

Leticia González, David Ferro-Costas, L. González, 2014, Physical chemistry chemical physics : PCCP.

Structure–Property Relationship of Red- and Green-Emitting Iridium(III) Complexes with Respect to Their Temperature and Oxygen Sensitivity

Daniel Escudero, Oliver J. Schmitz, Leticia González, 2010 .

Ground- and Excited-State Surfaces for the [2+2]-Photocycloaddition of α,β-Enones to Alkenes

Leticia González, Kendall N. Houk, K. Houk, 2000 .

Chiral Molecular Motors Ignited by Femtosecond Pump−Dump Laser Pulses

Makoto Sato, Riadh Sahnoun, Leticia González, 2004 .

Design of acidochromic dyes for facile preparation of pH sensor layers

Daniel Escudero, Annegret Stark, Thomas Henkel, 2008, Analytical and bioanalytical chemistry.

Selective preparation of enantiomers by laser pulses: From optimal control to specific pump and dump transitions

Yukiyoshi Ohtsuki, Leticia González, Jörn Manz, 2000 .

Wavelength-optimized Two-Photon Polymerization Using Initiators Based on Multipolar Aminostyryl-1,3,5-triazines

Aleksandr Ovsianikov, Peter Gruber, Robert Liska, 2018, Scientific Reports.

Electronic delocalization, charge transfer and hypochromism in the UV absorption spectrum of polyadenine unravelled by multiscale computations and quantitative wavefunction analysis† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc01600j Click here for additional data fil

Leticia González, Felix Plasser, F. Plasser, 2017, Chemical science.

Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods.

Philipp Marquetand, Thomas Müller, Hans Lischka, 2014, The Journal of chemical physics.

Progress and challenges in the calculation of electronic excited states.

Daniel Escudero, Luis Serrano-Andrés, Leticia González, 2012, Chemphyschem : a European journal of chemical physics and physical chemistry.

Cyclobutane Thymine Photodimerization Mechanism Revealed by Nonadiabatic Molecular Dynamics.

Philipp Marquetand, Leticia González, Clemens Rauer, 2016, Journal of the American Chemical Society.

Quantum ignition of intramolecular rotation by means of IR + UV laser pulses

Leticia González, Yuichi Fujimura, Jörn Manz, 2004 .

High‐level ab initio versus DFT calculations on (H2O2)2 and H2O2–H2O complexes as prototypes of multiple hydrogen bond systems

Otilia Mó, Manuel Yáñez, Leticia González, 1997 .

Analytical gradients of complete active space self-consistent field energies using Cholesky decomposition: geometry optimization and spin-state energetics of a ruthenium nitrosyl complex.

Roland Lindh, Francesco Aquilante, Thomas Bondo Pedersen, 2014, The Journal of chemical physics.