Publications of Alexander Kandratsenka
All genres
Journal Article (43)
Journal Article
Identification of reaction intermediates in the decomposition of formic acid on Pd. Faraday Discussions (2024)
Journal Article
159, 194102 (2023)
Quantum and classical molecular dynamics for H atom scattering from graphene. The Journal of Chemical Physics
Journal Article
3 (3), e20230006 (2023)
Manipulating tunnelling gateways in condensed phase isomerization. Natural Sciences
Journal Article
145 (22), pp. 12044 - 12050 (2023)
Highly Rotationally Excited N2 Reveals Transition-State Character in the Thermal Decomposition of N2O on Pd(110). Journal of the American Chemical Society
Journal Article
127 (1), pp. 142 - 152 (2023)
Binding Energy and Diffusion Barrier of Formic Acid on Pd(111). The Journal of Physical Chemistry A
Journal Article
144 (47), pp. 21791 - 21799 (2022)
Steric Hindrance of NH3 Diffusion on Pt(111) by Co-Adsorbed O-Atoms. Journal of the American Chemical Society
Journal Article
612, pp. 691 - 695 (2022)
Condensed-phase isomerization through tunnelling gateways. Nature
Journal Article
24 (33), pp. 19753 - 19760 (2022)
Stereodynamics of adiabatic and non-adiabatic energy transfer in a molecule surface encounter. Physical Chemistry Chemical Physics
Journal Article
24, pp. 20813 - 20819 (2022)
H atom scattering from W(110): A benchmark for molecular dynamics with electronic friction. Physical Chemistry Chemical Physics
Journal Article
24 (15), pp. 8738 - 8748 (2022)
Effective medium theory for bcc metals: Electronically non-adiabatic H atom scattering in full dimensions. Physical Chemistry Chemical Physics
Journal Article
377, pp. 394 - 398 (2022)
Quantum effects in thermal reaction rates at metal surfaces. Science
Journal Article
143 (43), pp. 18305 - 18316 (2021)
Kinetics of NH3 desorption and diffusion on Pt: Implications for the Ostwald process. Journal of the American Chemical Society
Journal Article
155 (3), 034702 (2021)
Adsorbate modification of electronic nonadiabaticity: H atom scattering from p(2 × 2) O on Pt(111). The Journal of Chemical Physics
Journal Article
125 (26), pp. 5745 - 5762 (2021)
Multibounce and subsurface scattering of H atoms colliding with a van der Waals solid. The Journal of Physical Chemistry A
Journal Article
125 (26), pp. 14468 - 14473 (2021)
Random force in molecular dynamics with electronic friction. The Journal of Physical Chemistry C
Journal Article
125 (15), pp. 3059 - 3076 (2021)
Inelastic scattering of H atoms from surfaces. Journal of Physical Chemistry A
Journal Article
12 (7), pp. 1991 - 1996 (2021)
Small nuclear quantum effects in scattering of H and D from graphene. Journal of Physical Chemistry Letters
Journal Article
22 (45), pp. 26113 - 26120 (2020)
An experimentally validated neural-network potential energy surface for H-atom on free-standing graphene in full dimensionality. Physical Chemistry Chemical Physics
Journal Article
369 (6510), pp. 1461 - 1465 (2020)
Following the microscopic pathway to adsorption through chemisorption and physisorption wells. Science
Journal Article
22 (31), pp. 17532 - 17539 (2020)
First principles rates for surface chemistry employing exact transition state theory: application to recombinative desorption of hydrogen from Cu(111). Physical Chemistry Chemical Physics