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Juan José Gutiérrez-Sevillano
Juan José Gutiérrez-Sevillano
Postdoctoral Researcher, Universidad Pablo de Olavide
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Understanding gas-induced structural deformation of ZIF-8
CO Ania, E García-Pérez, M Haro, JJ Gutiérrez-Sevillano, T Valdés-Solís, ...
The Journal of Physical Chemistry Letters 3 (9), 1159-1164, 2012
1412012
Molecular mechanisms for adsorption in Cu-BTC metal organic framework
JJ Gutiérrez-Sevillano, JM Vicent-Luna, D Dubbeldam, S Calero
The Journal of Physical Chemistry C 117 (21), 11357-11366, 2013
892013
Effect of Room-Temperature Ionic Liquids on CO2 Separation by a Cu-BTC Metal–Organic Framework
JM Vicent-Luna, JJ Gutiérrez-Sevillano, JA Anta, S Calero
The Journal of Physical Chemistry C 117 (40), 20762-20768, 2013
882013
Solubility of the Precombustion Gases CO2, CH4, CO, H2, N2, and H2S in the Ionic Liquid [bmim][Tf2N] from Monte Carlo Simulations
M Ramdin, SP Balaji, JM Vicent-Luna, JJ Gutiérrez-Sevillano, S Calero, ...
The Journal of Physical Chemistry C 118 (41), 23599-23604, 2014
742014
High adsorption capacities and two-step adsorption of polar adsorbates on copper–benzene-1, 3, 5-tricarboxylate metal–organic framework
TRC Van Assche, T Duerinck, JJ Gutierrez Sevillano, S Calero, GV Baron, ...
The Journal of Physical Chemistry C 117 (35), 18100-18111, 2013
722013
Zeolite screening for the separation of gas mixtures containing SO 2, CO 2 and CO
I Matito-Martos, A Martin-Calvo, JJ Gutierrez-Sevillano, M Haranczyk, ...
Physical Chemistry Chemical Physics 16 (37), 19884-19893, 2014
692014
Understanding adsorption of highly polar vapors on mesoporous MIL-100 (Cr) and MIL-101 (Cr): experiments and molecular simulations
MF De Lange, JJ Gutierrez-Sevillano, S Hamad, TJH Vlugt, S Calero, ...
The Journal of Physical Chemistry C 117 (15), 7613-7622, 2013
692013
Adsorption of hydrogen sulphide on Metal-Organic Frameworks
JJ Gutiérrez-Sevillano, A Martín-Calvo, D Dubbeldam, S Calero, S Hamad
RSC Advances 3 (34), 14737-14749, 2013
502013
Enantioselective adsorption of ibuprofen and lysine in metal–organic frameworks
R Bueno-Perez, A Martin-Calvo, P Gómez-Álvarez, JJ Gutiérrez-Sevillano, ...
Chemical Communications 50 (74), 10849-10852, 2014
482014
Analysis of the ITQ-12 zeolite performance in propane− propylene separations using a combination of experiments and molecular simulations
JJ Gutiérrez-Sevillano, D Dubbeldam, F Rey, S Valencia, M Palomino, ...
The Journal of Physical Chemistry C 114 (35), 14907-14914, 2010
482010
Validation of the CO2/N2O Analogy Using Molecular Simulation
Q Chen, SP Balaji, M Ramdin, JJ Gutiérrez-Sevillano, A Bardow, ...
Industrial & Engineering Chemistry Research 53 (46), 18081-18090, 2014
342014
Transferable force fields for adsorption of small gases in zeolites
A Martin-Calvo, JJ Gutiérrez-Sevillano, JB Parra, CO Ania, S Calero
Physical Chemistry Chemical Physics 17 (37), 24048-24055, 2015
332015
Methane Adsorption in Zr-Based MOFs: Comparison and Critical Evaluation of Force Fields
S Vandenbrande, T Verstraelen, JJ Gutiérrez-Sevillano, M Waroquier, ...
The Journal of Physical Chemistry C 121 (45), 25309-25322, 2017
312017
Molecular dynamics simulations of organohalide perovskite precursors: solvent effects in the formation of perovskite solar cells
JJ Gutierrez-Sevillano, S Ahmad, S Calero, JA Anta
Physical Chemistry Chemical Physics 17 (35), 22770-22777, 2015
312015
Selective Adsorption of Water from Mixtures with 1-Alcohols by Exploitation of Molecular Packing Effects in CuBTC
JJ Gutiérrez-Sevillano, S Calero, R Krishna
The Journal of Physical Chemistry C 119 (7), 3658-3666, 2015
302015
Molecular simulation investigation into the performance of Cu–BTC metal–organic frameworks for carbon dioxide–methane separations
JJ Gutiérrez-Sevillano, A Caro-Pérez, D Dubbeldam, S Calero
Physical Chemistry Chemical Physics 13 (45), 20453-20460, 2011
282011
Modeling Gas Adsorption in Flexible Metal–Organic Frameworks via Hybrid Monte Carlo/Molecular Dynamics Schemes
SMJ Rogge, R Goeminne, R Demuynck, JJ Gutiérrez‐Sevillano, ...
Advanced Theory and Simulations, 1800177, 2019
272019
Role of Ionic Liquid [EMIM]+[SCN]-in the Adsorption and Diffusion of Gases in Metal-Organic Frameworks
JM Vicent-Luna, JJ Gutiérrez-Sevillano, S Hamad, JA Anta, S Calero
ACS applied materials & interfaces, 2018
262018
Insights on the molecular mechanisms of hydrogen adsorption in zeolites
KS Deeg, JJ Gutiérrez-Sevillano, R Bueno-Pérez, JB Parra, CO Ania, ...
The Journal of Physical Chemistry C 117 (27), 14374-14380, 2013
262013
Toward a transferable set of charges to model zeolitic imidazolate frameworks: combined experimental–theoretical research
JJG Sevillano, S Calero, CO Ania, JB Parra, F Kapteijn, J Gascon, ...
The Journal of Physical Chemistry C 117 (1), 466-471, 2013
262013
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