Azobenzene at coinage metal surfaces: Role of dispersive van der Waals interactions ER McNellis, J Meyer, K Reuter Physical Review B 80 (20), 205414, 2009 | 562 | 2009 |
Structure and energetics of azobenzene on Ag (111): benchmarking semiempirical dispersion correction approaches G Mercurio, ER McNellis, I Martin, S Hagen, F Leyssner, S Soubatch, ... Physical Review Letters 104 (3), 036102, 2010 | 265 | 2010 |
Accurate Neural Network Description of Surface Phonons in Reactive Gas-Surface Dynamics: N2+ Ru (0001) K Shakouri, J Behler, J Meyer, GJ Kroes The Journal of Physical Chemistry Letters 8 (10), 2131-2136, 2017 | 153 | 2017 |
Electronic friction-based vibrational lifetimes of molecular adsorbates: Beyond the independent atom approximation SP Rittmeyer, J Meyer, JI Juaristi, K Reuter Physical Review Letters 115 (4), 046102, 2015 | 92 | 2015 |
Modeling Heat Dissipation at the Nanoscale: An Embedding Approach for Chemical Reaction Dynamics on Metal Surfaces J Meyer, K Reuter Angewandte Chemie International Edition 53 (18), 4721 –4724, 2014 | 90 | 2014 |
Electron–hole pairs during the adsorption dynamics of O2 on Pd (100): exciting or not? J Meyer, K Reuter New Journal of Physics 13, 085010, 2011 | 76 | 2011 |
Testing Electronic Friction Models: Vibrational De-excitation in Scattering of H2 and D2 from Cu(111) P Spiering, J Meyer J. Phys. Chem. Lett. 9, 1803-1808, 2018 | 74 | 2018 |
Azobenzene versus 3, 3′, 5, 5′-tetra-tert-butyl-azobenzene (TBA) at Au (111): characterizing the role of spacer groups ER McNellis, C Bronner, J Meyer, M Weinelt, P Tegeder, K Reuter Physical Chemistry Chemical Physics 12 (24), 6404-6412, 2010 | 65 | 2010 |
Diffusion Monte Carlo for Accurate Dissociation Energies of 3d Transition Metal Containing Molecules K Doblhoff-Dier, J Meyer, PE Hoggan, GJ Kroes, LK Wagner Journal of Chemical Theory and Computation 12 (6), 2583-2597, 2016 | 64 | 2016 |
Non-adiabatic effects during the dissociative adsorption of O2 at Ag (111)? A first-principles divide and conquer study I Goikoetxea, J Beltrán, J Meyer, J Iñaki Juaristi, M Alducin, K Reuter New Journal of Physics 14, 013050, 2012 | 64 | 2012 |
Stabilizing a molecular switch at solid surfaces: A density functional theory study of azobenzene on Cu (111), Ag (111), and Au (111) E McNellis, J Meyer, AD Baghi, K Reuter Physical Review B 80 (3), 035414, 2009 | 64 | 2009 |
Electron induced ortho-meta isomerization of single molecules V Simic-Milosevic, M Mehlhorn, KH Rieder, J Meyer, K Morgenstern Physical Review Letters 98 (11), 116102, 2007 | 63 | 2007 |
Orbital-Dependent Electronic Friction Significantly Affects the Description of Reactive Scattering of N2 from Ru(0001) P Spiering, K Shakouri, J Behler, GJ Kroes, J Meyer The Journal of Physical Chemistry Letters 10, 2957-2962, 2019 | 60 | 2019 |
The Sommerfeld ground-wave limit for a molecule adsorbed at a surface L Chen, JA Lau, D Schwarzer, J Meyer, VB Verma, AM Wodtke Science 363 (6423), 158 - 161, 2018 | 54 | 2018 |
Chirality change of chloronitrobenzene on Au (111) induced by inelastic electron tunneling V Simic‐Milosevic, J Meyer, K Morgenstern Angewandte Chemie International Edition 48 (22), 4061-4064, 2009 | 54 | 2009 |
Quantum Monte Carlo Calculations on a Benchmark Molecule - Metal Surface Reaction: H2 + Cu(111) K Doblhoff-Dier, J Meyer, PE Hoggan, GJ Kroes J. Chem. Theory Comput. 13 (7), 3208, 2017 | 49 | 2017 |
Quantification of finite-temperature effects on adsorption geometries of π-conjugated molecules: Azobenzene/Ag (111) G Mercurio, RJ Maurer, W Liu, S Hagen, F Leyssner, P Tegeder, J Meyer, ... Physical Review B 88 (3), 035421, 2013 | 48 | 2013 |
The Relation between Rotational Dynamics of the Organic Cation and Phase Transitions in Hybrid Halide Perovskites S Maheshwari, MB Fridriksson, S Seal, J Meyer, FC Grozema The Journal of Physical Chemistry C 123 (23), 14652-14661, 2019 | 46 | 2019 |
Dielectric Decrement for Aqueous NaCl Solutions: Effect of Ionic Charge Scaling in Nonpolarizable Water Force Fields S Seal, K Doblhoff-Dier, J Meyer The Journal of Physical Chemistry B 123 (46), 9912-9921, 2019 | 43 | 2019 |
A general method for controlling and resolving rotational orientation of molecules in molecule-surface collisions O Godsi, G Corem, Y Alkoby, JT Cantin, RV Krems, MF Somers, J Meyer, ... Nature Communications 8, 2017 | 42 | 2017 |