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List of works by Alexander Kandratsenka

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

scientific article published on 01 September 2015

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

scientific article

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

scientific article published on 26 November 2015

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

scientific article published on 01 March 2019

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

scientific article published on 19 April 2013

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

scientific article published on 31 July 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.

scientific article published in January 2018

Imaging covalent bond formation by H atom scattering from graphene.

scientific article

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

scientific article published on 23 February 2007

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

scientific article published in March 2005

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

scientific article

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

scientific article published on 01 May 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

scientific article published on 12 April 2019

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

scientific article published in March 2006

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

scientific article

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.

scientific article published on January 2014

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

scientific article published on 8 January 2018

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

scientific article published in Nature

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

scientific article published on 20 September 2017

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

article

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