Imaging single-molecule reaction intermediates stabilized by surface dissipation and entropy A Riss, AP Paz, S Wickenburg, HZ Tsai, DG De Oteyza, AJ Bradley, ... Nature chemistry 8 (7), 678-683, 2016 | 155 | 2016 |
Square selenene and tellurene: novel group VI elemental 2D materials with nontrivial topological properties L Xian, AP Paz, E Bianco, PM Ajayan, A Rubio 2D Materials 4 (4), 041003, 2017 | 145 | 2017 |
A comparative study of the centroid and ring-polymer molecular dynamics methods for approximating quantum time correlation functions from path integrals A Pérez, ME Tuckerman, MH Müser The Journal of chemical physics 130 (18), 2009 | 123 | 2009 |
Enol Tautomers of Watson− Crick Base Pair Models Are Metastable Because of Nuclear Quantum Effects A Pérez, ME Tuckerman, HP Hjalmarson, OA von Lilienfeld Journal of the American Chemical Society 132 (33), 11510, 2010 | 103 | 2010 |
Ultrasensitive H2S gas sensors based on p-type WS2 hybrid materials GA Asres, JJ Baldoví, A Dombovari, T Järvinen, GS Lorite, M Mohl, ... Nano Research 11, 4215-4224, 2018 | 92 | 2018 |
Improving the convergence of closed and open path integral molecular dynamics via higher order Trotter factorization schemes A Pérez, ME Tuckerman The Journal of chemical physics 135 (6), 2011 | 78 | 2011 |
The structure of tri‐proline in water probed by polarized Raman, Fourier transform infrared, vibrational circular dichroism, and electric ultraviolet circular dichroism … R Schweitzer‐Stenner, F Eker, A Perez, K Griebenow, X Cao, LA Nafie Peptide Science 71 (5), 558-568, 2003 | 54 | 2003 |
A molecular dynamics study of water nucleation using the TIP4P/2005 model P Alejandro, Á Rubio Secades American Institute of Physics (AIP), 2011 | 47 | 2011 |
Path integral computation of quantum free energy differences due to alchemical transformations involving mass and potential A Pérez, OA Von Lilienfeld Journal of Chemical Theory and Computation 7 (8), 2358-2369, 2011 | 43 | 2011 |
Revealing the adsorption mechanisms of nitroxides on ultrapure, metallicity-sorted carbon nanotubes G Ruiz-Soria, A Perez Paz, M Sauer, DJ Mowbray, P Lacovig, M Dalmiglio, ... ACS nano 8 (2), 1375-1383, 2014 | 41 | 2014 |
Toward confined carbyne with tailored properties L Shi, R Senga, K Suenaga, H Kataura, T Saito, AP Paz, A Rubio, P Ayala, ... Nano Letters 21 (2), 1096-1101, 2021 | 33 | 2021 |
Unravelling the role of vegetation in the attenuation of contaminants of emerging concern from wetland systems: Preliminary results from column studies A de la Paz, N Salinas, V Matamoros Water Research 166, 115031, 2019 | 30 | 2019 |
Roles of precursor conformation and adatoms in Ullmann coupling: An inverted porphyrin on Cu (111) JC Moreno-López, DJ Mowbray, A Perez Paz, RC de Campos Ferreira, ... Chemistry of Materials 31 (8), 3009-3017, 2019 | 30 | 2019 |
Identification of structural motifs as tunneling two-level systems in amorphous alumina at low temperatures AP Paz, IV Lebedeva, IV Tokatly, A Rubio Physical Review B 90 (22), 224202, 2014 | 30 | 2014 |
Polycyclic aromatic chains on metals and insulating layers by repetitive [3+ 2] cycloadditions A Riss, M Richter, AP Paz, XY Wang, R Raju, Y He, J Ducke, E Corral, ... Nature communications 11 (1), 1490, 2020 | 26 | 2020 |
Density functional theory study of water activation and COads+ OHads reaction on pure platinum and bimetallic platinum/ruthenium nanoclusters A Perez, MJ Vilkas, CR Cabrera, Y Ishikawa The Journal of Physical Chemistry B 109 (49), 23571-23578, 2005 | 21 | 2005 |
Supramolecular Assembly of Diplatinum Species through Weak PtII⋅⋅⋅ PtII Intermolecular Interactions: A Combined Experimental and Computational Study A Pérez Paz, LA Espinosa Leal, MR Azani, A Guijarro, S Miguel, J Pablo, ... Chemistry-A European Journal, 2012 | 20 | 2012 |
Hierarchy in the Halogen Activation During Surface‐Promoted Ullmann Coupling N Merino‐Díez, A Pérez Paz, J Li, M Vilas‐Varela, J Lawrence, ... ChemPhysChem 20 (18), 2305-2310, 2019 | 19 | 2019 |
Noncovalent dimerization after enediyne cyclization on Au (111) DG De Oteyza, A Perez Paz, YC Chen, Z Pedramrazi, A Riss, ... Journal of the American Chemical Society 138 (34), 10963-10967, 2016 | 19 | 2016 |
Norm-conserving condition for a non-central potential: the hydrogen molecule ion A Pérez The European Physical Journal D-Atomic, Molecular, Optical and Plasma …, 2012 | 19* | 2012 |