Sofia Calero

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• CCDC 2097729: Experimental Crystal Structure Determination

  Gutiérrez-Sevillano, J. J. (Contributor), da Silvá, I. (Contributor), Beobide, G. (Contributor), Perfecto-Irigaray, M. (Contributor), Velasco, L. F. (Contributor), Calero, S. (Contributor), Castillo, O. (Contributor), Luque, A. (Contributor) & Pérez-Yáñez, S. (Contributor), Cambridge Crystallographic Data Centre, 20 Jul 2021

  DOI: 10.5517/ccdc.csd.cc28dvp7

  Dataset

• Ordered_Nanoporous_Metals_SI.zip from Understanding the stability and structural properties of ordered nanoporous metals toward their rational synthesis

  Ortiz-Roldan, J. M. (Creator), Balestra, S. R. G. (Creator), Bueno-Perez, R. (Creator), Calero, S. (Creator), Garcia-Perez, E. (Creator), Catlow, C. R. A. (Creator), Ruiz-Salvador, A. R. (Creator) & Hamad, S. (Creator), The Royal Society, 15 Sept 2022

  DOI: 10.6084/m9.figshare.21118160

  Dataset

• CCDC 2097730: Experimental Crystal Structure Determination

  Perfecto-Irigaray, M. (Contributor), Beobide, G. (Contributor), Pérez-Yáñez, S. (Contributor), da Silva, I. (Contributor), Velasco, L. F. (Contributor), Gutiérrez-Sevillano, J. J. (Contributor), Castillo, O. (Contributor), Calero, S. (Contributor) & Luque, A. (Contributor), Cambridge Crystallographic Data Centre, 20 Jul 2021

  DOI: 10.5517/ccdc.csd.cc28dvq8

  Dataset

• CCDC 2097732: Experimental Crystal Structure Determination

  Gutiérrez-Sevillano, J. J. (Contributor), ca Silva, I. (Contributor), Beobide, G. (Contributor), Calero, S. (Contributor), Pérez-Yáñez, S. (Contributor), Castillo, O. (Contributor), Luque, A. (Contributor), Perfecto-Irigaray, M. (Contributor) & Velasco, L. F. (Contributor), Cambridge Crystallographic Data Centre, 20 Jul 2021

  DOI: 10.5517/ccdc.csd.cc28dvsb

  Dataset

• CCDC 2209071: Experimental Crystal Structure Determination

  Jajko, G. (Contributor), Calero, S. (Contributor), Kozyra, P. (Contributor), Makowski, W. (Contributor), Sławek, A. (Contributor), Gil, B. (Contributor) & Gutiérrez-Sevillano, J. J. (Contributor), Cambridge Crystallographic Data Centre, 23 Sept 2022

  DOI: 10.5517/ccdc.csd.cc2d4qcn

  Dataset

• Supporting Information RASPA3: A Monte Carlo Code for Computing Adsorption and Diffusion in Nanoporous Materials and Thermodynamics Properties of Fluids

  Ran, Y. A. (Creator), Sharma, S. (Creator), Balestra, S. R. G. (Creator), Li, Z. (Creator), Calero, S. (Creator), Vlugt, T. J. H. (Creator), Snurr, R. Q. (Creator) & Dubbeldam, D. (Creator), AIP Publishing, 16 Sept 2024

  DOI: 10.60893/figshare.jcp.26896942.v1, https://aip.figshare.com/articles/dataset/Supporting_Information_RASPA3_A_Monte_Carlo_Code_for_Computing_Adsorption_and_Diffusion_in_Nanoporous_Materials_and_Thermodynamics_Properties_of_Fluids/26896942/1

  Dataset

• Simulation input files and datasets for the article: "RUPTURA: Simulation Code for Breakthrough, Ideal Adsorption Solution Theory Computations, and Fitting of Isotherm Models".

  Sharma, S. (Creator), Balestra, S. R. G. (Creator), Baur, R. (Creator), Agarwal, U. (Creator), Zuidema, E. (Creator), Rigutto, M. S. (Creator), Calero, S. (Creator), Vlugt, T. J. H. (Creator) & Dubbeldam, D. (Creator), 4TU.Centre for Research Data, 14 Apr 2023

  DOI: 10.4121/4943dc0f-d908-4215-89ce-b9a6163930d2, https://data.4tu.nl/datasets/4943dc0f-d908-4215-89ce-b9a6163930d2 and one more link, https://data.4tu.nl/datasets/4943dc0f-d908-4215-89ce-b9a6163930d2/1 (show fewer)

  Dataset

• Sample simulation input file and data sets for the article: "Modelling of adsorbate-size dependent explicit isotherms using a segregated approach to account for surface heterogeneities."

  Sharma, S. (Creator), Rigutto, M. S. (Creator), Baur, R. (Creator), Agarwal, U. (Creator), Zuidema, E. (Creator), Balestra, S. R. G. (Creator), Calero, S. (Creator), Dubbeldam, D. (Creator) & Vlugt, T. J. H. (Creator), 4TU.Centre for Research Data, 14 Apr 2023

  DOI: 10.4121/9f0aec2f-8905-42ae-945d-32fbf4262969, https://data.4tu.nl/datasets/9f0aec2f-8905-42ae-945d-32fbf4262969 and one more link, https://data.4tu.nl/datasets/9f0aec2f-8905-42ae-945d-32fbf4262969/1 (show fewer)

  Dataset

• CCDC 1898811: Experimental Crystal Structure Determination

  Corella-Ochoa, M. N. (Contributor), Tapia, J. B. (Contributor), Rubin, H. N. (Contributor), Lillo, V. (Contributor), González-Cobos, J. (Contributor), Núñez-Rico, J. L. (Contributor), Balestra, S. R. G. (Contributor), Almora-Barrios, N. (Contributor), Lledós, M. (Contributor), Guëll-Bara, A. (Contributor), Cabezas-Giménez, J. (Contributor), Escudero-Adán, E. C. (Contributor), Vidal-Ferran, A. (Contributor), Calero, S. (Contributor), Reynolds, M. (Contributor), Martí-Gastaldo, C. (Contributor) & Galán-Mascarós, J. R. (Contributor), Cambridge Crystallographic Data Centre, 21 Feb 2019

  DOI: 10.5517/ccdc.csd.cc21qvzm, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc21qvzm&sid=DataCite

  Dataset

• CCDC 1898970: Experimental Crystal Structure Determination

  Corella-Ochoa, M. N. (Contributor), Tapia, J. B. (Contributor), Rubin, H. N. (Contributor), Lillo, V. (Contributor), González-Cobos, J. (Contributor), Núñez-Rico, J. L. (Contributor), Balestra, S. R. G. (Contributor), Almora-Barrios, N. (Contributor), Lledós, M. (Contributor), Guëll-Bara, A. (Contributor), Cabezas-Giménez, J. (Contributor), Escudero-Adán, E. C. (Contributor), Vidal-Ferran, A. (Contributor), Calero, S. (Contributor), Reynolds, M. (Contributor), Martí-Gastaldo, C. (Contributor) & Galán-Mascarós, J. R. (Contributor), Cambridge Crystallographic Data Centre, 22 Feb 2019

  DOI: 10.5517/ccdc.csd.cc21r13z, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc21r13z&sid=DataCite

  Dataset

• White Rabbit: Detection and geometrical analysis of rings and pores in mesoporous materials

  Balestra, S. R. G. (Creator), Ruiz-Salvador, A. R. (Creator), Calero, S. (Creator) & Hamad, S. (Creator), Zenodo, 1 Sept 2021

  DOI: 10.5281/zenodo.5361665

  Dataset

• CCDC 1898971: Experimental Crystal Structure Determination

  Corella-Ochoa, M. N. (Contributor), Tapia, J. B. (Contributor), Rubin, H. N. (Contributor), Lillo, V. (Contributor), González-Cobos, J. (Contributor), Núñez-Rico, J. L. (Contributor), Balestra, S. R. G. (Contributor), Almora-Barrios, N. (Contributor), Lledós, M. (Contributor), Guëll-Bara, A. (Contributor), Cabezas-Giménez, J. (Contributor), Escudero-Adán, E. C. (Contributor), Vidal-Ferran, A. (Contributor), Calero, S. (Contributor), Reynolds, M. (Contributor), Martí-Gastaldo, C. (Contributor) & Galán-Mascarós, J. R. (Contributor), Cambridge Crystallographic Data Centre, 22 Feb 2019

  DOI: 10.5517/ccdc.csd.cc21r140, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc21r140&sid=DataCite

  Dataset

• CCDC 2097737: Experimental Crystal Structure Determination

  Calero, S. (Contributor), Da Silva, I. (Contributor), Pérez-Yáñez, S. (Contributor), Luque, A. (Contributor), Gutiérrez-Sevillano, J. J. (Contributor), Beobide, G. (Contributor), Castillo, O. (Contributor), Velasco, L. F. (Contributor) & Perfecto-Irigaray, M. (Contributor), Cambridge Crystallographic Data Centre, 20 Jul 2021

  DOI: 10.5517/ccdc.csd.cc28dvyh

  Dataset

• CCDC 2097733: Experimental Crystal Structure Determination

  Perfecto-Irigaray, M. (Contributor), Beobide, G. (Contributor), Pérez-Yáñez, S. (Contributor), Luque, A. (Contributor), Calero, S. (Contributor), da Silva, I. (Contributor), Velasco, L. F. (Contributor), Gutiérrez-Sevillano, J. J. (Contributor) & Castillo, O. (Contributor), Cambridge Crystallographic Data Centre, 21 Jul 2021

  DOI: 10.5517/ccdc.csd.cc28dvtc

  Dataset

• CCDC 2097728: Experimental Crystal Structure Determination

  Calero, S. (Contributor), Luque, A. (Contributor), Pérez-Yáñez, S. (Contributor), Beobide, G. (Contributor), Gutiérrez-Sevillano, J. J. (Contributor), da Silva, I. (Contributor), Perfecto-Irigaray, M. (Contributor), Velasco, L. F. (Contributor) & Castillo, O. (Contributor), Cambridge Crystallographic Data Centre, 20 Jul 2021

  DOI: 10.5517/ccdc.csd.cc28dvn6

  Dataset

• Defect-induced tuning of polarity-dependent adsorption in hydrophobic–hydrophilic UiO-66

  Jajko, G. (Creator), Calero, S. (Creator), Kozyra, P. (Creator), Makowski, W. (Creator), Slawek, A. (Creator), Gil, B. (Creator) & Gutiérrez-Sevillano, J. J. (Creator), Zenodo, 26 Sept 2022

  DOI: 10.5281/zenodo.7112787

  Dataset

• Sample simulation files for 'New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves'

  Polat, H. M. (Creator), Salehi, H. S. (Contributor), Hens, R. (Creator), Wasik, D. O. (Creator), Rahbari, A. (Creator), De Meyer, F. (Contributor), Houriez, C. (Creator), Coquelet, C. (Creator), Calero, S. (Creator), Dubbeldam, D. (Creator), Moultos, O. A. (Creator) & Vlugt, T. J. H. (Creator), 4TU.Centre for Research Data, 12 May 2022

  DOI: 10.4121/19738834, https://data.4tu.nl/articles/_/19738834

  Dataset

• CCDC 1898969: Experimental Crystal Structure Determination

  Corella-Ochoa, M. N. (Contributor), Tapia, J. B. (Contributor), Rubin, H. N. (Contributor), Lillo, V. (Contributor), González-Cobos, J. (Contributor), Núñez-Rico, J. L. (Contributor), Balestra, S. R. G. (Contributor), Almora-Barrios, N. (Contributor), Lledós, M. (Contributor), Guëll-Bara, A. (Contributor), Cabezas-Giménez, J. (Contributor), Escudero-Adán, E. C. (Contributor), Vidal-Ferran, A. (Contributor), Calero, S. (Contributor), Reynolds, M. (Contributor), Martí-Gastaldo, C. (Contributor) & Galán-Mascarós, J. R. (Contributor), Cambridge Crystallographic Data Centre, 22 Feb 2019

  DOI: 10.5517/ccdc.csd.cc21r12y, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc21r12y&sid=DataCite

  Dataset

• Supplementary material from "Understanding the stability and structural properties of ordered nanoporous metals toward their rational synthesis"

  Ortiz-Roldan, J. M. (Creator), Balestra, S. R. G. (Creator), Bueno-Perez, R. (Creator), Calero, S. (Creator), Garcia-Perez, E. (Creator), Catlow, C. R. A. (Creator), Ruiz-Salvador, A. R. (Creator) & Hamad, S. (Creator), The Royal Society, 15 Sept 2022

  DOI: 10.6084/m9.figshare.c.6198515, https://rs.figshare.com/collections/Supplementary_material_from_Understanding_the_stability_and_structural_properties_of_ordered_nanoporous_metals_toward_their_rational_synthesis_/6198515

  Dataset