Lista de obras - Oriol Vendrell - Dominio Público Uruguay

A Potential Energy Function for Heterogeneous Proton-Wires. Ground and Photoactive States of the Proton-Wire in the Green Fluorescent Protein

artículo científico publicado en 2008

A proton between two waters: insight from full-dimensional quantum-dynamics simulations of the [H2O-H-OH2]+ cluster

artículo científico publicado en 2008

Ab Initio Investigation of Nonlinear Mode Coupling in C60.

artículo científico publicado en 2017

Challenges in XUV Photochemistry Simulations: A Case Study on Ultrafast Fragmentation Dynamics of the Benzene Radical Cation.

artículo científico publicado en 2018

Chemical reaction dynamics I and electron dynamics in molecules: general discussion

article

Coherent Electron Hole Dynamics Near a Conical Intersection

artículo científico publicado en 2014

Coherent dynamics in cavity femtochemistry: Application of the multi-configuration time-dependent Hartree method

article

Collective Jahn-Teller Interactions through Light-Matter Coupling in a Cavity

artículo científico publicado en 2018

Control of Nuclear Dynamics through Conical Intersections and Electronic Coherences

artículo científico publicado en 2018

Core-level transient absorption spectroscopy as a probe of electron hole relaxation in photoionized H+(H2O)n

artículo científico publicado en 2014

Correction to "Ultrafast Energy Transfer from Solvent to Solute Induced by Subpicosecond Highly Intense THz Pulses".

artículo científico publicado en 2015

Correlated Dynamics of the Motion of Proton-Hole Wave Packets in a Photoionized Water Cluster

scientific article published on 15 January 2013

Correlated proton-electron hole dynamics in protonated water clusters upon extreme ultraviolet photoionization

artículo científico publicado en 2016

Corrigendum: Ultrafast Energy Transfer to Liquid Water by Sub-Picosecond High-Intensity Terahertz Pulses: An Ab Initio Molecular Dynamics Study

scholarly article published in Angewandte Chemie International Edition

Dynamics and infrared spectroscopy of the protonated water dimer

scientific article published on 01 January 2007

Dynamics and spectroscopy of molecular ensembles in a lossy microcavity

artículo científico publicado en 2020

Dynamics from noisy data with extreme timing uncertainty

artículo científico publicado en 2016

Dynamics of fluctuations in a quantum system ⬇️

article

Electronic decoherence following photoionization: Full quantum-dynamical treatment of the influence of nuclear motion ⬇️

Exploring the effects of intramolecular vibrational energy redistribution on the operation of the proton wire in green fluorescent protein

artículo científico publicado en 2008

Fast hydrogen elimination from the [Ru(PH3)3(CO)(H)2] and [Ru(PH3)4(H)2] complexes in the first singlet excited states: a diabatic quantum dynamics study.

artículo científico publicado en 2004

Femtosecond response of polyatomic molecules to ultra-intense hard X-rays

artículo científico publicado en 2017

Full dimensional (15 dimensional) quantum-dynamical simulation of the protonated water-dimer IV: isotope effects in the infrared spectra of D(D2O)2(+), H(D2O)2(+), and D(H2O)2(+) isotopologues

artículo científico publicado en 2009

Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. II. Infrared spectrum and vibrational dynamics

scientific article published on 01 November 2007

Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water-dimer III: Mixed Jacobi-valence parametrization and benchmark results for the zero point energy, vibrationally excited states, and infrared spectrum

scientific article published on 01 June 2009

Full dimensional quantum-mechanical simulations for the vibronic dynamics of difluorobenzene radical cation isomers using the multilayer multiconfiguration time-dependent Hartree method

artículo científico publicado en 2012

Full-dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. I. Hamiltonian setup and analysis of the ground vibrational state

artículo científico publicado en 2007

Generation of highly damaging H2O+ radicals by inner valence shell ionization of water

artículo científico publicado en 2010

Imaging electronic quantum motion with light

artículo científico publicado en 2012

Instrumentation and methods: general discussion

Laser control over the ultrafast Coulomb explosion of N22+ after Auger decay: A quantum-dynamics investigation

Light-Induced Radical Formation and Isomerization of an Aromatic Thiol in Solution Followed by Time-Resolved X-ray Absorption Spectroscopy at the Sulfur K-Edge

artículo científico publicado en 2017

Many-photon excitation of organic molecules in a cavity-Superradiance as a measure of coherence

artículo científico publicado en 2020

Modifying the Nonradiative Decay Dynamics through Conical Intersections via Collective Coupling to a Cavity Mode

scientific article published on 30 September 2019

Multilayer multiconfiguration time-dependent Hartree method: implementation and applications to a Henon-Heiles hamiltonian and to pyrazine.

artículo científico publicado en 2011

Non-Born-Oppenheimer dynamics of the photoionized Zundel cation: a quantum wavepacket and surface-hopping study.

artículo científico publicado en 2013

Non-adiabatic quantum dynamics without potential energy surfaces based on second-quantized electrons: Application within the framework of the MCTDH method

artículo científico publicado en 2020

Nuclear dynamics during the resonant Auger decay of water molecules

scientific article published on 01 April 2009

On the generation of electronic ring currents under vibronic coupling effects

artículo científico publicado en 2020

Operation of the proton wire in green fluorescent protein. A quantum dynamics simulation

artículo científico publicado en 2008

Potential energy landscape of the photoinduced multiple proton-transfer process in the green fluorescent protein: classical molecular dynamics and multiconfigurational electronic structure calculations

artículo científico publicado en 2006

Prospects of Using High-Intensity THz Pulses To Induce Ultrafast Temperature-Jumps in Liquid Water

artículo científico publicado en 2018

Proton conduction along a chain of water molecules. Development of a linear model and quantum dynamical investigations using the multiconfiguration time-dependent Hartree method

scientific article published on 01 March 2005

Quantum state tomography of molecules by ultrafast diffraction

artículo científico publicado en 2021

Rebuilding the vibrational wavepacket in TRAS using attosecond X-ray pulses

artículo científico publicado en 2024

Sensitivity of core-level spectroscopy to electrostatic environments of nitrile groups: An ab initio study.

artículo científico publicado en 2017

Strong isotope effects in the infrared spectrum of the Zundel cation

scientific article published on 01 January 2009

Subpicosecond energy transfer from a highly intense THz pulse to water: A computational study based on the TIP4P/2005 rigid-water-molecule model ⬇️

artículo científico publicado en 2016

Sum-of-products form of the molecular electronic Hamiltonian and application within the MCTDH method

artículo científico publicado en 2022

The multi-layer multi-configuration time-dependent Hartree method for bosons: theory, implementation, and applications

artículo científico publicado en 2013

Time-resolved x-ray/optical pump-probe simulations on N molecules

UV-Photochemistry of the Disulfide Bond: Evolution of Early Photoproducts from Picosecond X-ray Absorption Spectroscopy at the Sulfur K-Edge

scientific article published on 17 May 2018

Ultrafast Charge Transfer of a Valence Double Hole in Glycine Driven Exclusively by Nuclear Motion

artículo científico publicado en 2015

Ultrafast Dynamics of Photoionized Acetylene ⬇️

artículo científico publicado el 20 de diciembre de 2011

Ultrafast Energy Transfer from Solvent to Solute Induced by Subpicosecond Highly Intense THz Pulses.

artículo científico publicado en 2015

Ultrafast electron diffraction imaging of bond breaking in di-ionized acetylene

artículo científico publicado en 2016

Ultrafast energy transfer to liquid water by sub-picosecond high-intensity terahertz pulses: an ab initio molecular dynamics study

artículo científico publicado en 2013

Ultrafast hydrogen migration in acetylene cation driven by non-adiabatic effects

artículo científico publicado en 2013

Ultrafast isomerization in acetylene dication after carbon K-shell ionization

artículo científico publicado en 2017

Lista de obras de Oriol Vendrell

A Potential Energy Function for Heterogeneous Proton-Wires. Ground and Photoactive States of the Proton-Wire in the Green Fluorescent Protein

A proton between two waters: insight from full-dimensional quantum-dynamics simulations of the [H2O-H-OH2]+ cluster

Ab Initio Investigation of Nonlinear Mode Coupling in C60.

Challenges in XUV Photochemistry Simulations: A Case Study on Ultrafast Fragmentation Dynamics of the Benzene Radical Cation.

Chemical reaction dynamics I and electron dynamics in molecules: general discussion

Coherent Electron Hole Dynamics Near a Conical Intersection

Coherent dynamics in cavity femtochemistry: Application of the multi-configuration time-dependent Hartree method

Collective Jahn-Teller Interactions through Light-Matter Coupling in a Cavity

Control of Nuclear Dynamics through Conical Intersections and Electronic Coherences

Core-level transient absorption spectroscopy as a probe of electron hole relaxation in photoionized H+(H2O)n

Correction to "Ultrafast Energy Transfer from Solvent to Solute Induced by Subpicosecond Highly Intense THz Pulses".

Correlated Dynamics of the Motion of Proton-Hole Wave Packets in a Photoionized Water Cluster

Correlated proton-electron hole dynamics in protonated water clusters upon extreme ultraviolet photoionization

Corrigendum: Ultrafast Energy Transfer to Liquid Water by Sub-Picosecond High-Intensity Terahertz Pulses: An Ab Initio Molecular Dynamics Study

Dynamics and infrared spectroscopy of the protonated water dimer

Dynamics and spectroscopy of molecular ensembles in a lossy microcavity

Dynamics from noisy data with extreme timing uncertainty

Dynamics of fluctuations in a quantum system ⬇️

Electronic decoherence following photoionization: Full quantum-dynamical treatment of the influence of nuclear motion ⬇️

Exploring the effects of intramolecular vibrational energy redistribution on the operation of the proton wire in green fluorescent protein

Fast hydrogen elimination from the [Ru(PH3)3(CO)(H)2] and [Ru(PH3)4(H)2] complexes in the first singlet excited states: a diabatic quantum dynamics study.

Femtosecond response of polyatomic molecules to ultra-intense hard X-rays

Full dimensional (15 dimensional) quantum-dynamical simulation of the protonated water-dimer IV: isotope effects in the infrared spectra of D(D2O)2(+), H(D2O)2(+), and D(H2O)2(+) isotopologues

Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. II. Infrared spectrum and vibrational dynamics

Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water-dimer III: Mixed Jacobi-valence parametrization and benchmark results for the zero point energy, vibrationally excited states, and infrared spectrum

Full dimensional quantum-mechanical simulations for the vibronic dynamics of difluorobenzene radical cation isomers using the multilayer multiconfiguration time-dependent Hartree method

Full-dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. I. Hamiltonian setup and analysis of the ground vibrational state

Generation of highly damaging H2O+ radicals by inner valence shell ionization of water

Imaging electronic quantum motion with light

Instrumentation and methods: general discussion

Laser control over the ultrafast Coulomb explosion of N22+ after Auger decay: A quantum-dynamics investigation

Light-Induced Radical Formation and Isomerization of an Aromatic Thiol in Solution Followed by Time-Resolved X-ray Absorption Spectroscopy at the Sulfur K-Edge

Many-photon excitation of organic molecules in a cavity-Superradiance as a measure of coherence

Modifying the Nonradiative Decay Dynamics through Conical Intersections via Collective Coupling to a Cavity Mode

Multilayer multiconfiguration time-dependent Hartree method: implementation and applications to a Henon-Heiles hamiltonian and to pyrazine.

Non-Born-Oppenheimer dynamics of the photoionized Zundel cation: a quantum wavepacket and surface-hopping study.

Non-adiabatic quantum dynamics without potential energy surfaces based on second-quantized electrons: Application within the framework of the MCTDH method

Nuclear dynamics during the resonant Auger decay of water molecules

On the generation of electronic ring currents under vibronic coupling effects

Operation of the proton wire in green fluorescent protein. A quantum dynamics simulation

Potential energy landscape of the photoinduced multiple proton-transfer process in the green fluorescent protein: classical molecular dynamics and multiconfigurational electronic structure calculations

Prospects of Using High-Intensity THz Pulses To Induce Ultrafast Temperature-Jumps in Liquid Water

Proton conduction along a chain of water molecules. Development of a linear model and quantum dynamical investigations using the multiconfiguration time-dependent Hartree method

Quantum state tomography of molecules by ultrafast diffraction

Rebuilding the vibrational wavepacket in TRAS using attosecond X-ray pulses

Sensitivity of core-level spectroscopy to electrostatic environments of nitrile groups: An ab initio study.

Strong isotope effects in the infrared spectrum of the Zundel cation

Subpicosecond energy transfer from a highly intense THz pulse to water: A computational study based on the TIP4P/2005 rigid-water-molecule model ⬇️

Sum-of-products form of the molecular electronic Hamiltonian and application within the MCTDH method

The multi-layer multi-configuration time-dependent Hartree method for bosons: theory, implementation, and applications

Time-resolved x-ray/optical pump-probe simulations on N molecules

UV-Photochemistry of the Disulfide Bond: Evolution of Early Photoproducts from Picosecond X-ray Absorption Spectroscopy at the Sulfur K-Edge

Ultrafast Charge Transfer of a Valence Double Hole in Glycine Driven Exclusively by Nuclear Motion

Ultrafast Dynamics of Photoionized Acetylene ⬇️

Ultrafast Energy Transfer from Solvent to Solute Induced by Subpicosecond Highly Intense THz Pulses.

Ultrafast electron diffraction imaging of bond breaking in di-ionized acetylene

Ultrafast energy transfer to liquid water by sub-picosecond high-intensity terahertz pulses: an ab initio molecular dynamics study

Ultrafast hydrogen migration in acetylene cation driven by non-adiabatic effects

Ultrafast isomerization in acetylene dication after carbon K-shell ionization

Weak-field few-femtosecond VUV photodissociation dynamics of water isotopologues