Lista de obras -

An accurate full-dimensional potential energy surface for H-Au(111): Importance of nonadiabatic electronic excitation in energy transfer and adsorption

artículo científico publicado en 2015

An axis-specific rotational rainbow in the direct scatter of formaldehyde from Au(111) and its influence on trapping probability.

artículo científico publicado en 2017

An experimentally validated neural-network potential energy surface for H-atom on free-standing graphene in full dimensionality

scientific article published on 11 September 2020

CO desorption from a catalytic surface: elucidation of the role of steps by velocity-selected residence time measurements

scientific article published on 23 January 2015

Electron-hole pair excitation determines the mechanism of hydrogen atom adsorption

artículo científico publicado en 2015

Erratum: "Hydrogen collisions with transition metal surfaces: Universal electronically nonadiabatic adsorption" [J. Chem. Phys. 148, 034706 (2018)]

artículo científico publicado en 2019

Experimental and theoretical study of multi-quantum vibrational excitation: NO(v = 0→1,2,3) in collisions with Au(111).

artículo científico publicado en 2013

First principles rates for surface chemistry employing exact transition state theory: application to recombinative desorption of hydrogen from Cu(111)

artículo científico publicado en 2020

Following the microscopic pathway to adsorption through chemisorption and physisorption wells

scientific article published on 01 September 2020

H atom scattering from W(110): A benchmark for molecular dynamics with electronic friction.

scientific article published in 2022

Hydrogen collisions with transition metal surfaces: Universal electronically nonadiabatic adsorption.

artículo científico publicado en 2018

Imaging covalent bond formation by H atom scattering from graphene.

artículo científico publicado en 2019

Mode-specific energy absorption by solvent molecules during CO2 vibrational cooling

artículo científico publicado en 2007

Molecular dynamics modeling of cooling of vibrationally highly excited carbon dioxide produced in the photodissociation of organic peroxides in solution.

artículo científico publicado en 2005

Multiquantum vibrational excitation of NO scattered from Au(111): quantitative comparison of benchmark data to ab initio theories of nonadiabatic molecule-surface interactions.

artículo científico publicado en 2012

Nonequilibrium molecular dynamics simulations of vibrational energy relaxation of HOD in D2O

artículo científico publicado en 2009

Origin of Thermal and Hyperthermal CO2 from CO Oxidation on Pt Surfaces: The Role of Post-Transition-State Dynamics, Active Sites, and Chemisorbed CO2

artículo científico publicado en 2019

Photoinduced isomerization kinetics of diiodomethane in supercritical fluid solution: local density effects.

artículo científico publicado en 2006

Relating linear vibrational spectroscopy to condensed-phase hydrogen-bonded structures: Liquid-to-supercritical water.

artículo científico publicado en 2008

The importance of accurate adiabatic interaction potentials for the correct description of electronically nonadiabatic vibrational energy transfer: a combined experimental and theoretical study of NO(v = 3) collisions with a Au(111) surface.

artículo científico publicado en 2014

Unified description of H-atom-induced chemicurrents and inelastic scattering.

artículo científico publicado en 2018

Velocity-resolved kinetics of site-specific carbon monoxide oxidation on platinum surfaces

artículo científico publicado en 2018

Vibrational Relaxation of Highly Vibrationally Excited CO Scattered from Au(111): Evidence for CO- Formation.

artículo científico publicado en 2017

Vibrational energy relaxation of the ND-stretching vibration of NH2D in liquid NH3

article

Lista de obras de

An accurate full-dimensional potential energy surface for H-Au(111): Importance of nonadiabatic electronic excitation in energy transfer and adsorption

An axis-specific rotational rainbow in the direct scatter of formaldehyde from Au(111) and its influence on trapping probability.

An experimentally validated neural-network potential energy surface for H-atom on free-standing graphene in full dimensionality

CO desorption from a catalytic surface: elucidation of the role of steps by velocity-selected residence time measurements

Electron-hole pair excitation determines the mechanism of hydrogen atom adsorption

Erratum: "Hydrogen collisions with transition metal surfaces: Universal electronically nonadiabatic adsorption" [J. Chem. Phys. 148, 034706 (2018)]

Experimental and theoretical study of multi-quantum vibrational excitation: NO(v = 0→1,2,3) in collisions with Au(111).

First principles rates for surface chemistry employing exact transition state theory: application to recombinative desorption of hydrogen from Cu(111)

Following the microscopic pathway to adsorption through chemisorption and physisorption wells

H atom scattering from W(110): A benchmark for molecular dynamics with electronic friction.

Hydrogen collisions with transition metal surfaces: Universal electronically nonadiabatic adsorption.

Imaging covalent bond formation by H atom scattering from graphene.

Mode-specific energy absorption by solvent molecules during CO2 vibrational cooling

Molecular dynamics modeling of cooling of vibrationally highly excited carbon dioxide produced in the photodissociation of organic peroxides in solution.

Multiquantum vibrational excitation of NO scattered from Au(111): quantitative comparison of benchmark data to ab initio theories of nonadiabatic molecule-surface interactions.

Nonequilibrium molecular dynamics simulations of vibrational energy relaxation of HOD in D2O

Origin of Thermal and Hyperthermal CO2 from CO Oxidation on Pt Surfaces: The Role of Post-Transition-State Dynamics, Active Sites, and Chemisorbed CO2

Photoinduced isomerization kinetics of diiodomethane in supercritical fluid solution: local density effects.

Relating linear vibrational spectroscopy to condensed-phase hydrogen-bonded structures: Liquid-to-supercritical water.

The importance of accurate adiabatic interaction potentials for the correct description of electronically nonadiabatic vibrational energy transfer: a combined experimental and theoretical study of NO(v = 3) collisions with a Au(111) surface.

Unified description of H-atom-induced chemicurrents and inelastic scattering.

Velocity-resolved kinetics of site-specific carbon monoxide oxidation on platinum surfaces

Vibrational Relaxation of Highly Vibrationally Excited CO Scattered from Au(111): Evidence for CO- Formation.

Vibrational energy relaxation of the ND-stretching vibration of NH2D in liquid NH3