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P.L. Rodríguez-Kessler
P.L. Rodríguez-Kessler
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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
452015
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
382015
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
352017
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
222016
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
212015
Structures of FePt clusters and their interactions with the O2 molecule
PL Rodríguez-Kessler, JL Ricardo-Chávez
Chemical Physics Letters 622, 34-41, 2015
202015
N2O dissociation on small Rh clusters: A density functional study
PL Rodríguez-Kessler, AR Rodríguez-Domínguez
Computational Materials Science 97, 32-35, 2015
192015
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
172019
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
162020
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
132021
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
132020
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
112021
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
112018
On Heteronuclear Isoelectronic Alternatives to [Au13(dppe)5Cl2]3+: Electronic and Optical Properties of the 18-Electron Os@[Au12(dppe)5Cl2] Cluster from …
J Wei, PL Rodríguez-Kessler, JF Halet, S Kahlal, JY Saillard, ...
Inorganic Chemistry 60 (11), 8173-8180, 2021
102021
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
82021
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
82020
Reactivity of atomically functionalized C-doped boron nitride nanoribbons and their interaction with organosulfur compounds
F Villanueva-Mejia, P Navarro-Santos, PL Rodríguez-Kessler, ...
Nanomaterials 9 (3), 452, 2019
82019
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
82019
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
82018
Coinage-metal pillarplexes hosts. Insights into host–guest interaction nature and luminescence quenching effects
M Rojas-Poblete, PL Rodríguez-Kessler, RG Maturana, A Muñoz-Castro
Physical Chemistry Chemical Physics 23 (30), 15917-15924, 2021
72021
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