Chemically accurate simulation of a prototypical surface reaction: H2 dissociation on Cu (111) C Díaz, E Pijper, RA Olsen, HF Busnengo, DJ Auerbach, GJ Kroes Science 326 (5954), 832-834, 2009 | 399 | 2009 |
Long-range magnetic order in a purely organic 2D layer adsorbed on epitaxial graphene M Garnica, D Stradi, S Barja, F Calleja, C Díaz, M Alcamí, N Martín, ... Nature Physics 9 (6), 368-374, 2013 | 222 | 2013 |
Quantum and classical dynamics of reactive scattering of H 2 from metal surfaces GJ Kroes, C Díaz Chemical Society Reviews 45, 3658, 2016 | 171 | 2016 |
Role of Dispersion Forces in the Structure of Graphene Monolayers on Ru Surfaces D Stradi, S Barja, C Díaz, M Garnica, B Borca, JJ Hinarejos, ... Physical review letters 106 (18), 186102, 2011 | 161 | 2011 |
Effect of Surface Motion on the Rotational Quadrupole Alignment Parameter of D2 Reacting on Cu (111) F Nattino, C Díaz, B Jackson, GJ Kroes Physical Review Letters 108 (23), 236104, 2012 | 138 | 2012 |
Multidimensional effects on dissociation of N-2 on Ru (0001) C Díaz, JK Vincent, GP Krishnamohan, RA Olsen, GJ Kroes, JK Honkala, ... Physical review letters 96 (9), 2006 | 125 | 2006 |
Six-dimensional dynamics study of reactive and non reactive scattering of H2 from Cu (111) using a chemically accurate potential energy surface C Díaz, RA Olsen, DJ Auerbach, GJ Kroes Phys. Chem. Chem. Phys. 12 (24), 6499-6519, 2010 | 113 | 2010 |
In-plane and out-of-plane diffraction of H 2 from metal surfaces D Farías, C Díaz, P Rivière, HF Busnengo, P Nieto, MF Somers, GJ Kroes, ... Physical review letters 93 (24), 246104, 2004 | 99 | 2004 |
Dynamics on Six-Dimensional Potential Energy Surfaces for H2/Cu (111): Corrugation Reducing Procedure versus Modified Shepard Interpolation Method and PW91 versus RPBE C Díaz, RA Olsen, HF Busnengo, GJ Kroes The Journal of Physical Chemistry C 114 (25), 11192-11201, 2010 | 74 | 2010 |
Hydrogen dissociation on Cu (111): the influence of lattice motion. Part I M Bonfanti, C Díaz, MF Somers, GJ Kroes Physical Chemistry Chemical Physics 13 (10), 4552-4561, 2011 | 70 | 2011 |
Apparent failure of the Born–Oppenheimer static surface model for vibrational excitation of molecular hydrogen on copper GJ Kroes, C Díaz, E Pijper, RA Olsen, DJ Auerbach Proceedings of the National Academy of Sciences 107 (49), 20881-20886, 2010 | 62 | 2010 |
Pronounced out-of-plane diffraction of H2 molecules from a Pd (1 1 1) surface D Farıas, C Dıaz, P Nieto, A Salin, F Martın Chemical physics letters 390 (1-3), 250-255, 2004 | 62 | 2004 |
Pronounced out-of-plane diffraction of H2 molecules from a Pd (1 1 1) surface D Farıas, C Dıaz, P Nieto, A Salin, F Martın Chemical physics letters 390 (1-3), 250-255, 2004 | 62 | 2004 |
Thermal Lattice Expansion Effect on Reactive Scattering of H2 from Cu(111) at Ts = 925 K A Mondal, M Wijzenbroek, M Bonfanti, C Diaz, GJ Kroes The Journal of Physical Chemistry A 117 (36), 8770-8781, 2013 | 61 | 2013 |
The Enigmatic HCl+ Au (111) Reaction: A Puzzle for Theory and Experiment GJK G Fuchsel, M del Cueto, C Díaz The Journal of Physical Chemistry C 120, 25760, 2016 | 57 | 2016 |
Vibrational deexcitation and rotational excitation of H2 and D2 scattered from Cu(111): Adiabatic versus non-adiabatic dynamics AS Muzas, JI Juaristi, M Alducin, R Diez-Muiño, K G. J., C Díaz Journal of Chemical Physics 137, 064707, 2012 | 57 | 2012 |
Reactive and nonreactive scattering of N from Ru (0001): A six-dimensional adiabatic study C Díaz, JK Vincent, GP Krishnamohan, RA Olsen, GJ Kroes, K Honkala, ... The Journal of chemical physics 125, 114706, 2006 | 54 | 2006 |
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 |
Electron localization in epitaxial graphene on Ru (0001) determined by moiré corrugation D Stradi, S Barja, C Díaz, M Garnica, B Borca, JJ Hinarejos, ... Physical Review B 85 (12), 121404, 2012 | 49 | 2012 |
Elastic Response of Graphene Nanodomes S Koch, D Stradi, E Gnecco, S Barja, S Kawai, C Díaz, M Alcamí, F Martín, ... ACS nano 7 (4), 2927-2934, 2013 | 44 | 2013 |