J. González-Vázquez

发表

SHARC: ab Initio Molecular Dynamics with Surface Hopping in the Adiabatic Representation Including Arbitrary Couplings.

P. Marquetand, L. González, I. Sola, 2011, Journal of chemical theory and computation.

Nonadiabatic ab initio molecular dynamics including spin-orbit coupling and laser fields.

P. Marquetand, L. González, I. Sola, 2011, Faraday discussions.

Structural dynamics effects on the electronic predissociation of alkyl iodides

L. Bañares, J. González-Vázquez, A. Zanchet, 2020, Scientific Reports.

Singlet and triplet excited-state dynamics study of the keto and enol tautomers of cytosine.

P. Marquetand, S. Mai, L. González, 2013, Chemphyschem : a European journal of chemical physics and physical chemistry.

Femtosecond XUV–IR induced photodynamics in the methyl iodide cation

M. Vrakking, L. Bañares, J. González-Vázquez, 2021, New Journal of Physics.

Velocity map imaging and theoretical study of the Coulomb explosion of CH3I under intense femtosecond IR pulses.

L. Bañares, J. González-Vázquez, R. de Nalda, 2012, The journal of physical chemistry. A.

Imaging the molecular channel in acetaldehyde photodissociation: roaming and transition state mechanisms.

L. Bañares, J. González-Vázquez, L. Rubio-Lago, 2012, Physical chemistry chemical physics : PCCP.

Let the trajectories tell a quantum story: Post-entangling the SHARC scheme

I. Sola, J. González-Vázquez, Pablo Sampedro Ruiz, 2015 .

Femtochemistry under scrutiny: Clocking state-resolved channels in the photodissociation of CH3I in the A-band.

L. Bañares, J. González-Vázquez, R. de Nalda, 2020, The Journal of chemical physics.

Molecular Identification of the Transient Species Mediating the Deactivation Dynamics of Solvated Guanosine and Deazaguanosine

J. González-Vázquez, I. Corral, L. Martínez-Fernández, 2022, Molecules.

Exploring wavepacket dynamics behind strong-field momentum-dependent photodissociation in CH(2)BrI(+).

L. González, T. Weinacht, J. González-Vázquez, 2010, Physical chemistry chemical physics : PCCP.

A velocity map imaging study of the photodissociation of the methyl iodide cation.

L. Bañares, J. González-Vázquez, S. Marggi Poullain, 2017, Physical chemistry chemical physics : PCCP.

Full-dimensional theoretical description of vibrationally resolved valence-shell photoionization of H2O

J. Bozek, F. Martín, P. Decleva, 2019, Structural dynamics.

Resonant photoionization of O2 up to the fourth ionization threshold.

F. Martín, J. González-Vázquez, S. Marggi Poullain, 2019, Physical chemistry chemical physics : PCCP.

Hybrid-Basis Close-Coupling Interface to Quantum Chemistry Packages for the Treatment of Ionization Problems.

F. Martín, J. González-Vázquez, I. Corral, 2017, Journal of chemical theory and computation.

Conical intersection and coherent vibrational dynamics in alkyl iodides captured by attosecond transient absorption spectroscopy.

S. Leone, D. Neumark, D. Prendergast, 2022, The Journal of chemical physics.

Controlling NO Production Upon Valence Ionization of Nitroimidazoles.

S. Denifl, E. Kukk, J. González-Vázquez, 2019, The journal of physical chemistry. A.

Electronic coherences in argon through interfering one- and two-photon ionization processes in the vicinity of Feshbach resonances

J. González-Vázquez, F. Martín, V. J. Borràs, 2022, Physical Review Research.

Disclosing the Role of C4-Oxo Substitution in the Photochemistry of DNA and RNA Pyrimidine Monomers: Formation of Photoproducts from the Vibrationally Excited Ground State

C. Crespo-Hernández, J. González-Vázquez, I. Corral, 2022, The journal of physical chemistry letters.

Ultrafast imaging of laser-controlled non-adiabatic dynamics in NO2 from time-resolved photoelectron emission.

F. Martín, A. Harvey, J. González-Vázquez, 2019, Physical chemistry chemical physics : PCCP.

A non-adiabatic wavepacket dynamical study of the low energy charge transfer process in the S3+ + H collision

F. Martín, L. González, J. González-Vázquez, 2012 .

Timing of charge migration in betaine by impact of fast atomic ions

M. Alcamí, S. Díaz-Tendero, A. Domaracka, 2021, Science Advances.

Site-selective-induced isomerization of formamide.

M. Sodupe, J. González-Vázquez, A. Picón, 2019, Physical chemistry chemical physics : PCCP.

A wavepacket study of the low-energy charge transfer process in the S(3+) + H reaction using time-resolved electronic densities.

L. González, J. González-Vázquez, M. Łabuda, 2010, Physical chemistry chemical physics : PCCP.

A non-adiabatic quantum-classical dynamics study of the intramolecular excited state hydrogen transfer in ortho-nitrobenzaldehyde.

F. Feixas, L. González, J. González-Vázquez, 2011, Physical chemistry chemical physics : PCCP.

A CASSCF and CASPT2 study of the photochemistry of 1,1- and 1,2-difluoroethylenes

L. González, J. González-Vázquez, 2008 .

Dynamics of the photodissociation of ethyl iodide from the origin of the B band. A slice imaging study.

L. Bañares, J. González-Vázquez, S. Marggi Poullain, 2019, Physical chemistry chemical physics : PCCP.

Effect of the template and functional monomer on the textural properties of molecularly imprinted polymers.

M. Moreno-Bondi, J. Urraca, G. Orellana, 2008, Biosensors & bioelectronics.

Molecular fragmentation as a way to reveal early electron dynamics induced by attosecond pulses.

F. Martín, P. Decleva, J. González-Vázquez, 2021, Faraday discussions.

Potential Energy Surfaces of Core-Hole and Shake-Up States for Dissociative Ionization Studies.

F. Martín, J. González-Vázquez, I. Corral, 2017, Journal of chemical theory and computation.

Time-Resolved Insight into the Photosensitized Generation of Singlet Oxygen in Endoperoxides

L. González, J. González-Vázquez, I. Corral, 2014, Journal of chemical theory and computation.

Femtosecond Intersystem Crossing in the DNA Nucleobase Cytosine.

P. Marquetand, L. González, I. Sola, 2012, The journal of physical chemistry letters.

IR spectrum of FHF- and FDF- revisited using a spectral method in four dimensions.

L. González, J. González-Vázquez, G. Pérez-Hernández, 2012, The journal of physical chemistry. A.

Is Photolytic Production a Viable Source of HCN and HNC in Astrophysical Environments? A Laboratory-based Feasibility Study of Methyl Cyanoformate

H. Dai, J. González-Vázquez, S. Vázquez, 2017 .

Dissociation of Difluoroethylenes. II. Direct Classical Trajectory Study of the HF Elimination from 1,2-Difluoroethylene

A. Fernández-Ramos, J. González-Vázquez, S. Vázquez, 2003 .

Dissociation of difluoroethylenes. I. Global potential energy surface, RRKM, and VTST calculations

A. Fernández-Ramos, J. González-Vázquez, S. Vázquez, 2003 .

Molecular-Frame Photoelectron Angular Distributions of CO in the Vicinity of Feshbach Resonances: An XCHEM Approach.

F. Martín, J. González-Vázquez, L. Argenti, 2021, Journal of chemical theory and computation.

The primary step in the ultrafast photodissociation of the methyl iodide dimer.

L. Bañares, J. González-Vázquez, R. de Nalda, 2011, Physical chemistry chemical physics : PCCP.

A 4D wave packet study of the CH3I photodissociation in the A-band. Comparison with femtosecond velocity map imaging experiments.

L. Bañares, J. González-Vázquez, R. de Nalda, 2011, The Journal of chemical physics.

H-abstraction is more efficient than cis-trans isomerization in (4-methylcyclohexylidene) fluoromethane. An ab initio molecular dynamics study.

L. González, J. González-Vázquez, D. Kinzel, 2012, Physical chemistry chemical physics : PCCP.

The role of πσ* states in the photochemistry of the chiral fluoroethylene derivative (4-methylcyclohexylidene)fluoromethane†

L. González, J. González-Vázquez, D. Kinzel, 2011 .

Non-adiabatic photoisomerization versus photodissociation dynamics of the chiral fluoroethylene derivative (4-methylcyclohexylidene) fluoromethane

L. González, J. González-Vázquez, S. Alfalah, 2010 .

RRKM and direct MP2/6-31G(d,p) quasiclassical trajectory study of the H2 elimination in the photodissociation of vinyl chloride at 193 nm

L. Bañares, J. González-Vázquez, S. Vázquez, 2004 .

Nonadiabatic scattering of NO off Au3 clusters: A simple and robust diabatic state manifold generation method for multiconfigurational wavefunctions

Christopher Robertson, Jesús González-Vázquez, Ines Corral, 2019, J. Comput. Chem..

Photoionization using the XCHEM approach : Total and partial cross sections of Ne and resonance parameters above the 2s(2)2p(5) threshold

F. Martín, J. González-Vázquez, E. Lindroth, 2017 .

Describing ionization of small molecules with a Gaussian and B-Splines Mixed Basis (GABS)

F. Martín, J. González-Vázquez, I. Corral, 2015 .

Structural dynamics effects on the ultrafast chemical bond cleavage of a photodissociation reaction.

A. Zewail, L. Bañares, J. González-Vázquez, 2014, Physical chemistry chemical physics : PCCP.

Attosecond photoionization delays in the vicinity of molecular Feshbach resonances

F. Martín, J. González-Vázquez, L. Argenti, 2023, Science advances.

Intrastrand Photolesion Formation in Thio-Substituted DNA: A Case Study Including Single-Reference and Multireference Methods.

D. Truhlar, L. Gagliardi, J. González-Vázquez, 2020, The journal of physical chemistry. A.

Partial cross sections and interfering resonances in photoionization of molecular nitrogen

F. Martín, J. González-Vázquez, L. Argenti, 2018, Physical Review A.

Mapping the dissociative ionization dynamics of molecular nitrogen with attosecond resolution

F. Martín, M. Nisoli, G. Sansone, 2015 .

Halogen-atom effect on the ultrafast photodissociation dynamics of the dihalomethanes CH2ICl and CH2BrI.

I. Sola, L. Bañares, J. González-Vázquez, 2018, Physical chemistry chemical physics : PCCP.

Photodissociation dynamics of bromoiodomethane from the first and second absorption bands. A combined velocity map and slice imaging study.

L. Bañares, J. González-Vázquez, S. Marggi Poullain, 2018, Physical chemistry chemical physics : PCCP.

Femtosecond photodissociation dynamics of chloroiodomethane in the first absorption band

L. Bañares, J. González-Vázquez, S. M. Poullain, 2017 .

Slice imaging of the UV photodissociation of CH2BrCl from the maximum of the first absorption band.

L. Bañares, J. González-Vázquez, S. Marggi Poullain, 2017, The Journal of chemical physics.

Control of nuclear dynamics with strong ultrashort laser pulses.

P. Marquetand, L. González, T. Weinacht, 2012, The journal of physical chemistry. A.

Control of ultrafast molecular photodissociation by laser-field-induced potentials.

I. Sola, R. Nalda, L. Bañares, 2014, Nature chemistry.

Observation of site-selective chemical bond changes via ultrafast chemical shifts

C. Bostedt, S. Moeller, J. Krzywiński, 2022, Nature Communications.

Sub-laser-cycle control of coupled electron–nuclear dynamics at a conical intersection

F. Martín, S. Patchkovskii, M. Ivanov, 2015 .

Thymine relaxation after UV irradiation: the role of tautomerization and pi-sigma* states.

L. González, J. González-Vázquez, T. Schultz, 2009, Physical chemistry chemical physics : PCCP.

Coulomb Explosion Imaging for the Visualization of a Conical Intersection.

R. Nalda, L. Bañares, J. González-Vázquez, 2018, The journal of physical chemistry letters.

A time-dependent picture of the ultrafast deactivation of keto-cytosine including three-state conical intersections.

L. González, J. González-Vázquez, 2010, Chemphyschem : a European journal of chemical physics and physical chemistry.

A detailed experimental and theoretical study of the femtosecond A-band photodissociation of CH(3)I.

L. Bañares, J. González-Vázquez, R. de Nalda, 2008, The Journal of chemical physics.

Mixed quantum-classical dynamics in the adiabatic representation to simulate molecules driven by strong laser pulses.

P. Marquetand, L. González, I. Sola, 2012, The journal of physical chemistry. A.

Electron Correlation in the Ionization Continuum of Molecules: Photoionization of N2 in the Vicinity of the Hopfield Series of Autoionizing States.

F. Martín, J. González-Vázquez, L. Argenti, 2018, The journal of physical chemistry letters.

A look into the photoionization of medium-sized molecular systems from an XCHEM perspective

F. Martín, J. González-Vázquez, P. Fernández-Milán, 2020, Journal of Physics: Conference Series.

UV-pump/UV-probe spectroscopy of N2

J. González-Vázquez, V. J. Borràs, M. Klinker, 2020, Journal of Physics: Conference Series.

Structural dynamics effects on the electronic predissociation of alkyl iodides

L. Bañares, J. González-Vázquez, A. Zanchet, 2020, Scientific Reports.

Strong field laser control of photochemistry.

I. Sola, L. Bañares, J. González-Vázquez, 2015, Physical chemistry chemical physics : PCCP.

Squeezing Rb 2 wave packets with mixed adiabatic and dynamic strategies

I. Sola, B. Chang, J. González-Vázquez, 2006 .

Control defeasance by anti-alignment in the excited state.

F. Martín, Seokmin Shin, I. Sola, 2019, Physical Chemistry, Chemical Physics - PCCP.

Quantum control of spin–orbit coupling by dynamic Stark-shifts induced by laser fields

I. Sola, V. Malinovsky, J. González-Vázquez, 2006 .

Ultrafast Laser-Induced Processes Described by Ab Initio Molecular Dynamics

P. Marquetand, L. González, I. Sola, 2014 .

Optical control of the singlet-triplet transition in Rb2.

I. Sola, V. Malinovsky, J. González-Vázquez, 2006, The Journal of chemical physics.

Strong field control of photochemistry

I. Sola, R. Nalda, L. Bañares, 2015 .

Laser control of conical intersections: Quantum model simulations for the averaged loss-gain strategies of fast electronic deactivation in 1,1-difluoroethylene

L. González, I. Sola, J. González-Vázquez, 2009 .

Effect of the shot-to-shot variation on charge migration induced by sub-fs x-ray free-electron laser pulses

J. Marangos, P. Decleva, A. Marinelli, 2023, Physical Review Research.

Vibrationally state-selective spin-orbit transfer with strong nonresonant pulses.

I. Sola, V. Malinovsky, J. González-Vázquez, 2007, The journal of physical chemistry. A.

Optical control of a spin switch in the weak spin-orbit coupling limit (9 pages)

I. Sola, J. González-Vázquez, 2006 .

Excitation of vibrational modes in the ionization of water molecule by XUV/X-ray radiation

F. Martín, D. Ayuso, P. Decleva, 2015 .

Velocity map imaging and theoretical study of the Coulomb explosion of CH3I under intense femtosecond IR pulses.

L. Bañares, J. González-Vázquez, R. de Nalda, 2012, The journal of physical chemistry. A.

Photoionization cross sections and photoelectron angular distributions of molecules with XCHEM-2.0

J. González-Vázquez, L. Argenti, P. Fernández-Milán, 2023, Computer Physics Communications.

Photoionization of the water molecule with XCHEM.

J. González-Vázquez, P. Fernández-Milán, V. J. Borràs, 2023, The Journal of chemical physics.

Adiabatic passage by light-induced potentials in polyatomic molecules.

I. Sola, J. González-Vázquez, J. Santamaria, 2006, The journal of physical chemistry. A.