Calero, Sofía : rechercher sur Z-Library

Elena García-Pérez, Patrick S. Barcia, José A. C. Silva, Alirio E. Rodrigues, Sofía Calero

Année:

2002

Langue:

english

Fichier:

PDF, 229 KB

english, 2002

Influence of the sodium and calcium non-framework cations on the adsorption of hexane isomers in zeolite BEA

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

2011

Langue:

english

Fichier:

PDF, 792 KB

english, 2011

Water adsorption in hydrophilic zeolites: experiment and simulation

Castillo, Juan Manuel, Silvestre-Albero, Juaquin, Rodriguez-Reinoso, Francisco, Vlugt, Thijs J. H., Calero, Sofia

Journal:

Martín-Calvo, Ana, Lahoz-Martín, Francisco D., Calero, Sofía

Année:

2013

Langue:

english

Fichier:

PDF, 1.09 MB

english, 2013

Understanding Carbon Monoxide Capture Using Metal–Organic Frameworks

Journal:

Calero, Flor R., Dalley, Christopher, Fernandez, Nicole, Davenport-Dalley, Tania Marie, Morote, Elsa-Sofia, Tatum, Stephanie L.

Année:

2012

Langue:

english

Fichier:

PDF, 1.62 MB

english, 2012

A Model of Academic Self-Concept for High School Hispanic Students in New York

Journal:

Journal of Latinos and Education

Année:

2014

Langue:

english

Fichier:

PDF, 148 KB

english, 2014

Separation of benzene from mixtures with water, methanol, ethanol, and acetone: highlighting hydrogen bonding and molecular clustering influences in CuBTC

Gutiérrez-Sevillano, Juan José, Calero, Sofia, Krishna, Rajamani

Journal:

Ramdin, Mahinder, Chen, Qu, Balaji, Sayee Prasaad, Vicent-Luna, José Manuel, Torres-Knoop, Ariana, Dubbeldam, David, Calero, Sofía, de Loos, Theo W., Vlugt, Thijs J.H.

Année:

2015

Langue:

english

Fichier:

PDF, 978 KB

english, 2015

Solubilities of CO2, CH4, C2H6, and SO2 in Ionic Liquids and Selexol from Monte Carlo Simulations

Journal:

Journal of Computational Science

Année:

2015

Langue:

english

Fichier:

PDF, 3.47 MB

english, 2015

Effective Model for Olefin/Paraffin Separation using (Co, Fe, Mn, Ni)-MOF-74

Luna-Triguero, Azahara, Vicent-Luna, Jose Manuel, Becker, Tim M., Vlugt, Thijs J. H., Dubbeldam, David, Gómez-Álvarez, Paula, Calero, Sofia

Journal:

ChemistrySelect

Année:

2017

Langue:

english

Fichier:

PDF, 1.98 MB

english, 2017

Tuning the Separation Properties of Zeolitic Imidazolate Framework Core-Shell Structures via Post-Synthetic Modification

Sánchez-Laínez, Javier, Veiga, Adrián, Zornoza Encabo, Beatriz, Rodríguez-Gómez Balestra, Salvador, Hamad, Said, Ruiz-Salvador, A. Rabdel, Calero, Sofia, Téllez Ariso, Carlos, Coronas, Joaquin

Journal:

Journal of Materials Chemistry A

Année:

2017

Langue:

english

Fichier:

PDF, 1.48 MB

english, 2017

Enhancing the Water Capacity in Zr-based Metal-Organic Framework for Heat Pump and Atmospheric Water Generator Applications

Luna-Triguero, Azahara, Sławek, Andrzej, Huinink, Henk, Vlugt, Thijs J. H., Poursaeidesfahani, Ali, Vicent-Luna, José Manuel, Calero, Sofía

Journal:

ACS Applied Nano Materials

Année:

2019

Langue:

english

Fichier:

PDF, 1.25 MB

english, 2019

High-throughput screening of metal â Organic frameworks for CO2 and CH4 separation in the presence of water

Rogacka, Justyna, Seremak, Agnieszka, Luna-Triguero, Azahara, Formalik, Filip, Matito-Martos, Ismael, Firlej, Lucyna, Calero, Sofia, Kuchta, Bogdan

Journal:

Chemical Engineering Journal

Année:

2021

Fichier:

PDF, 3.70 MB

2021

Understanding Zeolite Catalysis: Inverse Shape Selectivity Revised

Merijn Schenk, Sofia Calero, Theo L. M. Maesen, Lucas L. van Benthem, Martijn G. Verbeek, Berend Smit

Journal:

Martin Wendland, Sofia Calero, Ulrike Weingerl, Johann Fischer

Année:

2002

Langue:

english

Fichier:

PDF, 229 KB

english, 2002

Beschreibung alternativer Kältemittel und ihrer Gemische mit BACKONE-Gleichungen

Journal:

Chemie Ingenieur Technik

Année:

2000

Langue:

german

Fichier:

PDF, 135 KB

german, 2000

Understanding the Window Effect in Zeolite Catalysis

David Dubbeldam, Sofía Calero, Theo L. M. Maesen, Berend Smit

Journal:

Année:

2003

Langue:

english

Fichier:

PDF, 227 KB

english, 2003

A Computational Method To Characterize Framework Aluminum in Aluminosilicates

Elena García-Pérez, David Dubbeldam, Bei Liu, Berend Smit, Sofía Calero

Journal:

Titus S. van Erp, Tom P. Caremans, David Dubbeldam, Ana Martin-Calvo, Sofia Calero, Johan A. Martens

Année:

2007

Langue:

english

Fichier:

PDF, 307 KB

english, 2007

Enantioselective Adsorption in Achiral Zeolites

Journal:

David Dubbeldam, Sofía Calero, Theo L. M. Maesen, Berend Smit

Année:

2010

Langue:

english

Fichier:

PDF, 702 KB

english, 2010

Understanding the Window Effect in Zeolite Catalysis

Journal:

Année:

2003

Langue:

english

Fichier:

PDF, 227 KB

english, 2003

A Computational Method To Characterize Framework Aluminum in Aluminosilicates

Elena García-Pérez, David Dubbeldam, Bei Liu, Berend Smit, Sofía Calero

Journal:

Titus S. van Erp, Tom P. Caremans, David Dubbeldam, Ana Martin-Calvo, Sofia Calero, Johan A. Martens

Année:

2007

Langue:

english

Fichier:

PDF, 308 KB

english, 2007

Enantioselective Adsorption in Achiral Zeolites

Journal:

Sofía Calero, Santiago Lago, Wilfred F. van Gunsteren, Xavier Daura

Année:

2010

Langue:

english

Fichier:

PDF, 721 KB

english, 2010

Modelling of the Complex between a 15-Residue Peptide from mSos2 and the N-Terminal SH3 Domain of Grb2 by Molecular-Dynamics Simulation

Journal:

Chemistry & Biodiversity

Année:

2004

Langue:

english

Fichier:

PDF, 287 KB

english, 2004

ChemInform Abstract: Entropy Effects During Sorption of Alkanes in Zeolites

Rajamani Krishna, Berend Smit, Sofia Calero

Journal:

ChemInform

Année:

2002

Fichier:

PDF, 25 KB

2002

On the application of chiral amplification via adsorption

Titus S. van Erp, David Dubbeldam, Sofia Calero, Johan A. Martens

Journal:

Chemical Engineering Science

Année:

2010

Langue:

english

Fichier:

PDF, 950 KB

english, 2010

Alkane hydrocracking: shape selectivity or kinetics?

Theo L.M Maesen, Sofia Calero, Merijn Schenk, Berend Smit

Journal:

Année:

2004

Langue:

english

Fichier:

PDF, 452 KB

english, 2004

The selectivity of n-hexane hydroconversion on MOR-, MAZ-, and FAU-type zeolites

Sofia Calero, Merijn Schenk, David Dubbeldam, Theo L.M. Maesen, Berend Smit

Journal:

Année:

2004

Langue:

english

Fichier:

PDF, 263 KB

english, 2004

Understanding cage effects in the n-alkane conversion on zeolites

Theo L.M. Maesen, Edith Beerdsen, Sofia Calero, David Dubbeldam, Berend Smit

Journal:

Theo L.M. Maesen, Rajamani Krishna, Jasper M. van Baten, Berend Smit, Sofia Calero, Juan Manuel Castillo Sanchez

Année:

2006

Langue:

english

Fichier:

PDF, 5.58 MB

english, 2006

Shape-selective n-alkane hydroconversion at exterior zeolite surfaces

Journal:

Almudena García-Sánchez, Johan van den Bergh, Juan M. Castillo, Sofía Calero, Freek Kapteijn, Thijs J.H. Vlugt

Année:

2008

Langue:

english

Fichier:

PDF, 735 KB

english, 2008

Influence of force field parameters on computed diffusion coefficients of CO2 in LTA-type zeolite

Journal:

Microporous and Mesoporous Materials

Année:

2012

Langue:

english

Fichier:

PDF, 759 KB

english, 2012

Shape selectivity through entropy

Merijn Schenk, Sofia Calero, Theo L.M Maesen, Thijs J.H Vlugt, Lucas L van Benthem, Martijn G Verbeek, Benoit Schnell, Berend Smit

Journal:

Année:

2003

Langue:

english

Fichier:

PDF, 397 KB

english, 2003

High-pressure liquid phase hydroconversion of heptane/nonane mixtures on Pt/H-Y zeolite catalyst

Joeri F.M. Denayer, Refik A. Ocakoglu, Ward Huybrechts, Bruno Dejonckheere, Pierre Jacobs, Sofia Calero, Rajamani Krishna, Berend Smit, Gino V. Baron, Johan A. Martens

Journal:

Dr. Luca Bellarosa, Dr. Juan Manuel Castillo, Prof. Thijs Vlugt, Dr. Sofía Calero, Prof. Núria López

Année:

2003

Langue:

english

Fichier:

PDF, 271 KB

english, 2003

On the Mechanism Behind the Instability of Isoreticular Metal–Organic Frameworks (IRMOFs) in Humid Environments

Journal:

Chemistry - A European Journal

Année:

2012

Langue:

english

Fichier:

PDF, 2.00 MB

english, 2012

ChemInform Abstract: Modeling of Transport and Accessibility in Zeolites

Sofia Calero Diaz

Journal:

ChemInform

Année:

2012

Fichier:

PDF, 18 KB

2012

Simulating the Effect of Nonframework Cations on the Adsorption of Alkanes in MFI-type Zeolites

Beerdsen, Edith, Dubbeldam, David, Smit, Berend, Vlugt, Thijs J. H., Calero, Sofía

Journal:

Journal of Physical Chemistry B

Année:

2003

Langue:

english

Fichier:

PDF, 611 KB

english, 2003

Understanding the Role of Sodium during Adsorption: A Force Field for Alkanes in Sodium-Exchanged Faujasites

Calero, Sofía, Dubbeldam, David, Krishna, Rajamani, Smit, Berend, Vlugt, Thijs J. H., Denayer, Joeri F. M., Martens, Johan A., Maesen, Theo L. M.

Journal:

Journal of the American Chemical Society

Année:

2004

Langue:

english

Fichier:

PDF, 708 KB

english, 2004

Toward a Transferable Set of Charges to Model Zeolitic Imidazolate Frameworks: Combined Experimental–Theoretical Research

Sevillano, Juan José Gutiérrez, Calero, Sofía, Ania, Conchi O., Parra, José B., Kapteijn, Freek, Gascon, Jorge, Hamad, Said

Journal:

García-Pérez, Elena, Schnell, Sondre K., Castillo, Juan M., Calero, Sofia, Kjelstrup, Signe, Dubbeldam, David, Vlugt, Thijs J. H.

Année:

2013

Langue:

english

Fichier:

PDF, 517 KB

english, 2013

External Surface Adsorption on Silicalite-1 Zeolite Studied by Molecular Simulation

Journal:

Dubbeldam, David, Krishna, Rajamani, Calero, Sofía, Yazaydın, Ahmet Özgür

Année:

2011

Langue:

english

Fichier:

PDF, 3.43 MB

english, 2011

Computer-Assisted Screening of Ordered Crystalline Nanoporous Adsorbents for Separation of Alkane Isomers

Journal:

Dubbeldam, David, Krishna, Rajamani, Calero, Sofía, Yazaydın, Ahmet Özgür

Année:

2012

Langue:

english

Fichier:

PDF, 1.52 MB

english, 2012

Computer-Assisted Screening of Ordered Crystalline Nanoporous Adsorbents for Separation of Alkane Isomers

Journal:

Calero, Sofia, Gutiérrez-Sevillano, Juan José, García-Pérez, Elena

Année:

2012

Langue:

english

Fichier:

PDF, 1.51 MB

english, 2012

Effect of the molecular interactions on the separation of nonpolar mixtures using Cu-BTC metal–organic framework

Journal:

Microporous and Mesoporous Materials

Année:

2013

Langue:

english

Fichier:

PDF, 851 KB

english, 2013

Understanding Water Adsorption in Cu−BTC Metal−Organic Frameworks

Castillo, Juan Manuel, Vlugt, Thijs J. H., Calero, Sofía

Journal:

Martín-Calvo, Ana, García-Pérez, Elena, Manuel Castillo, Juan, Calero, Sofia

Année:

2008

Langue:

english

Fichier:

PDF, 1.58 MB

english, 2008

Molecular simulations for adsorption and separation of natural gas in IRMOF-1 and Cu-BTC metal-organic frameworks

Journal:

Bajpe, Sneha R., Breynaert, Eric, Martin-Calvo, Ana, Mustafa, Danilo, Calero, Sofia, Kirschhock, Christine E. A., Martens, Johan A.

Année:

2008

Langue:

english

Fichier:

PDF, 1.49 MB

english, 2008

COK-16: A Cation-Exchanging Metal-Organic Framework Hybrid

Journal:

ChemPlusChem

Année:

2013

Langue:

english

Fichier:

PDF, 1.07 MB

english, 2013

Understanding Adsorption of Highly Polar Vapors on Mesoporous MIL-100(Cr) and MIL-101(Cr): Experiments and Molecular Simulations

De Lange, Martijn F., Gutierrez-Sevillano, Juan-Jose, Hamad, Said, Vlugt, Thijs J. H., Calero, Sofia, Gascon, Jorge, Kapteijn, Freek

Journal:

Gutiérrez-Sevillano, Juan José, Vicent-Luna, José Manuel, Dubbeldam, David, Calero, Sofía

Année:

2013

Langue:

english

Fichier:

PDF, 3.39 MB

english, 2013

Molecular Mechanisms for Adsorption in Cu-BTC Metal Organic Framework

Journal:

Deeg, Kathryn S., Gutiérrez-Sevillano, Juan José, Bueno-Pérez, Rocío, Parra, José B., Ania, Conchi O., Doblaré, Manuel, Calero, Sofía

Année:

2013

Langue:

english

Fichier:

PDF, 1.79 MB

english, 2013

Insights on the Molecular Mechanisms of Hydrogen Adsorption in Zeolites

Journal:

Castillo, J. M., Vlugt, T. J. H., Calero, Sofia

Année:

2013

Langue:

english

Fichier:

PDF, 1.28 MB

english, 2013

Molecular Simulation Study on the Separation of Xylene Isomers in MIL-47 Metal−Organic Frameworks

Journal:

Gutiérrez-Sevillano, Juan José, Martín-Calvo, Ana, Dubbeldam, David, Calero, Sofía, Hamad, Said

Année:

2009

Langue:

english

Fichier:

PDF, 1.25 MB

english, 2009

Adsorption of hydrogen sulphide on Metal-Organic Frameworks

Journal:

RSC Advances

Année:

2013

Langue:

english

Fichier:

PDF, 1.12 MB

english, 2013

High Adsorption Capacities and Two-Step Adsorption of Polar Adsorbates on Copper–Benzene-1,3,5-tricarboxylate Metal–Organic Framework

Van Assche, Tom R. C., Duerinck, Tim, Gutiérrez Sevillano, Juan José, Calero, Sofia, Baron, Gino V., Denayer, Joeri F. M.

Journal:

Bellarosa, Luca, Gutiérrez-Sevillano, Juan J., Calero, Sofía, López, Núria

Année:

2013

Langue:

english

Fichier:

PDF, 754 KB

english, 2013

How ligands improve the hydrothermal stability and affect the adsorption in the IRMOF family

Journal: