| Stability of Ni Clusters and the Adsorption of CH4: First-Principles Calculations PL Rodríguez-Kessler, AR Rodríguez-Domínguez The Journal of Physical Chemistry C 119 (22), 12378-12384, 2015 | 56 | 2015 |
| Size and structure effects of PtN (N= 12− 13) clusters for the oxygen reduction reaction: First-principles calculations PL Rodríguez-Kessler, AR Rodríguez-Domínguez The Journal of Chemical Physics 143 (18), 2015 | 49 | 2015 |
| Structural Evolution of the Rhodium-Doped Silver Clusters AgnRh (n ≤ 15) and Their Reactivity toward NO PL Rodríguez-Kessler, S Pan, E Florez, JL Cabellos, G Merino The Journal of Physical Chemistry C 121 (35), 19420-19427, 2017 | 47 | 2017 |
| Structures and Electronic Properties of TinV (n = 1–16) Clusters: First-Principles Calculations PL Rodríguez-Kessler, AR Rodríguez-Domínguez The Journal of Physical Chemistry A 120 (15), 2401-2407, 2016 | 29 | 2016 |
| Structural, electronic, and magnetic properties of AgnCo (n= 1–9) clusters: A first-principles study PL Rodríguez-Kessler, AR Rodríguez-Domínguez Computational and Theoretical Chemistry 1066, 55-61, 2015 | 29 | 2015 |
| Hydrogen chemisorption on Pd-doped copper clusters PL Rodríguez-Kessler, P Alonso-Dávila, P Navarro-Santos, ... The Journal of Physical Chemistry C 123 (25), 15834-15840, 2019 | 28 | 2019 |
| Systematic cluster growth: a structure search method for transition metal clusters PL Rodríguez-Kessler, AR Rodríguez-Domínguez, A Muñoz-Castro Physical Chemistry Chemical Physics 23 (8), 4935-4943, 2021 | 27 | 2021 |
| Structural, electronic and catalytic properties of bimetallic PtnAgn (n= 1–7) clusters PL Rodríguez-Kessler, A Muñoz-Castro, PA Alonso-Dávila, ... Journal of Alloys and Compounds 845, 155897, 2020 | 25 | 2020 |
| Structures of FePt clusters and their interactions with the O2 molecule PL Rodríguez-Kessler, JL Ricardo-Chávez Chemical Physics Letters 622, 34-41, 2015 | 24 | 2015 |
| N2O dissociation on small Rh clusters: A density functional study PL Rodríguez-Kessler, AR Rodríguez-Domínguez Computational Materials Science 97, 32-35, 2015 | 23 | 2015 |
| Structural characterization, reactivity, and vibrational properties of silver clusters: a new global minimum for Ag 16 PL Rodríguez-Kessler, AR Rodríguez-Domínguez, DML Carey, ... Physical Chemistry Chemical Physics 22 (46), 27255-27262, 2020 | 21 | 2020 |
| On the structure and reactivity of Pt n Cu n (n= 1–7) alloy clusters PL Rodríguez-Kessler, AR Rodríguez-Domínguez, A Muñoz-Castro Physical Chemistry Chemical Physics 23 (12), 7233-7239, 2021 | 19 | 2021 |
| On the search of small Cu-Ru atomically precise Superatoms. Cu10Ru cluster as a stable 18-ve endohedral structure PL Rodríguez-Kessler, AR Rodríguez-Domínguez, JA Morato-Márquez, ... Chemical Physics Letters 754, 137721, 2020 | 17 | 2020 |
| Structure and stability of Cu-doped Bn (n= 1–12) clusters: DFT calculations PL Rodríguez-Kessler, A Vásquez-Espinal, A Muñoz-Castro Polyhedron 243, 116538, 2023 | 16 | 2023 |
| Structure of V-doped Pdn (n= 2–12) clusters and their ability for H2 dissociation PL Rodríguez-Kessler, F Murillo, AR Rodríguez-Domínguez, ... international journal of hydrogen energy 43 (45), 20636-20644, 2018 | 16 | 2018 |
| Structural characterization and electronic properties of Ru-doped Cun (n= 1–12) clusters JA Morato-Márquez, S Godavarthi, CG Espinosa-González, ... Chemical Physics Letters 754, 137677, 2020 | 14 | 2020 |
| Structure and stability of Mo-doped Cun (n= 1–12) clusters: DFT calculations PL Rodríguez-Kessler, A Muñoz-Castro Inorganica Chimica Acta 556, 121620, 2023 | 13 | 2023 |
| Exploring the Size‐Dependent Hydrogen Storage Property on Ti‐Doped Bn Clusters by Diatomic Deposition: Temperature Controlled H2 Release PL Rodríguez‐Kessler, AR Rodríguez‐Domínguez, D MacLeod‐Carey, ... Advanced Theory and Simulations 4 (7), 2100043, 2021 | 13 | 2021 |
| Adsorption of molecular hydrogen on lithium–phosphorus double-helices G Jana, S Pan, PL Rodríguez-Kessler, G Merino, PK Chattaraj The Journal of Physical Chemistry C 122 (49), 27941-27946, 2018 | 13 | 2018 |
| Structural characterization of Co-doped Pdn (n= 1–12) clusters: first-principles calculations PL Rodríguez-Kessler, P Navarro-Santos, AR Rodríguez-Domínguez Chemical Physics Letters 715, 141-146, 2019 | 12 | 2019 |
Alvaro Muñoz-CastroUniversidad San Sebastiánยืนยันอีเมลแล้วที่ uss.cl