An In Situ Surface-Enhanced Infrared Absorption Spectroscopy Study of Electrochemical CO2 Reduction: Selectivity Dependence on Surface C-Bound and O … Y Katayama, F Nattino, L Giordano, J Hwang, RR Rao, O Andreussi, ...
The Journal of Physical Chemistry C 123 (10), 5951-5963, 2018
229 2018 Ab Initio Molecular Dynamics Calculations versus Quantum-State-Resolved Experiments on CHD3 + Pt(111): New Insights into a Prototypical Gas–Surface Reaction F Nattino, H Ueta, H Chadwick, ME van Reijzen, RD Beck, B Jackson, ...
The journal of physical chemistry letters 5 (8), 1294-1299, 2014
148 2014 Effect of Surface Motion on the Rotational Quadrupole Alignment Parameter of F Nattino, C Díaz, B Jackson, GJ Kroes
Physical review letters 108 (23), 236104, 2012
137 2012 Chemically accurate simulation of a polyatomic molecule-metal surface reaction F Nattino, D Migliorini, GJ Kroes, E Dombrowski, EA High, DR Killelea, ...
The Journal of Physical Chemistry Letters 7 (13), 2402-2406, 2016
126 2016 Dissociative chemisorption of methane on metal surfaces: tests of dynamical assumptions using quantum models and ab initio molecular dynamics B Jackson, F Nattino, GJ Kroes
The Journal of Chemical Physics 141 (5), 2014
98 2014 Surface reaction barriometry: methane dissociation on flat and stepped transition-metal surfaces D Migliorini, H Chadwick, F Nattino, A Gutiérrez-González, E Dombrowski, ...
The journal of physical chemistry letters 8 (17), 4177-4182, 2017
92 2017 Continuum models of the electrochemical diffuse layer in electronic-structure calculations F Nattino, M Truscott, N Marzari, O Andreussi
The Journal of chemical physics 150 (4), 2019
81 2019 Methane dissociation on Pt (111): Searching for a specific reaction parameter density functional F Nattino, D Migliorini, M Bonfanti, GJ Kroes
The Journal of Chemical Physics 144 (4), 2016
66 2016 Solvent-aware interfaces in continuum solvation O Andreussi, NG Hormann, F Nattino, G Fisicaro, S Goedecker, N Marzari
Journal of chemical theory and computation 15 (3), 1996-2009, 2019
62 2019 Fast and credible likelihood-free cosmology with truncated marginal neural ratio estimation A Cole, BK Miller, SJ Witte, MX Cai, MW Grootes, F Nattino, C Weniger
Journal of Cosmology and Astroparticle Physics 2022 (09), 004, 2022
57 2022 Dissociation and recombination of D2 on Cu (111): Ab initio molecular dynamics calculations and improved analysis of desorption experiments F Nattino, A Genova, M Guijt, AS Muzas, C Díaz, DJ Auerbach, GJ Kroes
The Journal of Chemical Physics 141 (12), 2014
50 2014 Dissociative chemisorption of methane on Ni (111) using a chemically accurate fifteen dimensional potential energy surface X Zhou, F Nattino, Y Zhang, J Chen, GJ Kroes, H Guo, B Jiang
Physical Chemistry Chemical Physics 19 (45), 30540-30550, 2017
46 2017 Rotational effects on the dissociation dynamics of CHD 3 on Pt (111) G Füchsel, PS Thomas, J den Uyl, Y Öztürk, F Nattino, HD Meyer, ...
Physical Chemistry Chemical Physics 18 (11), 8174-8185, 2016
29 2016 Modeling surface motion effects in N2 dissociation on W (110): Ab initio molecular dynamics calculations and generalized Langevin oscillator model F Nattino, O Galparsoro, F Costanzo, R Díez Muiño, M Alducin, GJ Kroes
The Journal of Chemical Physics 144 (24), 2016
28 2016 N2 dissociation on W (110): An ab initio molecular dynamics study on the effect of phonons F Nattino, F Costanzo, GJ Kroes
The Journal of Chemical Physics 142 (10), 2015
26 2015 Role of OH intermediates during the Au oxide electro-reduction at low pH elucidated by electrochemical surface-enhanced raman spectroscopy and implicit solvent density … JHK Pfisterer, F Nattino, UE Zhumaev, M Breiner, JM Feliu, N Marzari, ...
ACS catalysis 10 (21), 12716-12726, 2020
24 2020 swyft: Truncated marginal neural ratio estimation in python BK Miller, A Cole, C Weniger, F Nattino, O Ku, MW Grootes
Journal of Open Source Software 7 (75), 4205, 2022
23 2022 Better together? Assessing different remote sensing products for predicting habitat suitability of wetland birds Z Koma, AC Seijmonsbergen, MW Grootes, F Nattino, J Groot, ...
Diversity and distributions 28 (4), 685-699, 2022
21 2022 Operando XANES from first-principles and its application to iridium oxide F Nattino, N Marzari
Physical Chemistry Chemical Physics 22 (19), 10807-10818, 2020
19 2020 Niche separation of wetland birds revealed from airborne laser scanning Z Koma, MW Grootes, CW Meijer, F Nattino, AC Seijmonsbergen, ...
Ecography 44 (6), 907-918, 2021
16 2021 