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    Selective Separation of BTEX Mixtures Using Metal–Organic Frameworks 

    Type: Journal Paper
    Author : Francisco D. Lahoz-Martín; Ana Martín-Calvo; Sofía Calero
    Year: 2014
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    Separation of Benzene from Mixtures with Water, Methanol, Ethanol, and Acetone: Highlighting Hydrogen Bonding and Molecular Clustering Influences in CuBTC 

    Type: Journal Paper
    Author : Juan José Gutiérrez-Sevillano; Sofia Calero; Rajamani Krishna
    Year: 2015
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    Selective Adsorption of Water from Mixtures with 1-Alcohols by Exploitation of Molecular Packing Effects in CuBTC 

    Type: Journal Paper
    Author : Juan José Gutiérrez-Sevillano; Sofia Calero; Rajamani Krishna
    Year: 2015

    RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials 

    Type: Journal Paper
    Author : David Dubbeldam; Sofía Calero; Donald E. Ellis; Randall Q. Snurr
    Year: 2015
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    Molecular dynamics simulations of organohalide perovskite precursors: solvent effects in the formation of perovskite solar cells 

    Type: Journal Paper
    Author : Juan José Gutierrez-Sevillano; Shahzada Ahmad; Sofía Calero; Juan A. Anta
    Year: 2015
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    Ion Transport in Electrolytes for Dye-Sensitized Solar Cells: A Combined Experimental and Theoretical Study 

    Type: Journal Paper
    Author : Jose Manuel Vicent-Luna; Jesus Idígoras; Said Hamad; Sofia Calero; Juan Antonio Anta
    Year: 2014
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    Comparing gas separation performance between all known zeolites and their zeolitic imidazolate framework counterparts 

    Type: Journal Paper
    Author : Paula Gómez-Álvarez; Said Hamad; Maciej Haranczyk; A. Rabdel Ruiz-Salvador; Sofia Calero
    Year: 2016
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    Transferable Force Field for Carbon Dioxide Adsorption in Zeolites 

    Type: Journal Paper
    Author : Almudena García-Sánchez; Conchi O. Ania; José B. Parra; David Dubbeldam; Thijs J. H. Vlugt; Rajamani Krishna; Sofía Calero
    Year: 2009
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    Low-coverage adsorption properties of the metal–organic framework MIL-47 studied by pulse chromatography and Monte Carlo simulations 

    Type: Journal Paper
    Author : Vincent Finsy; Sofia Calero; Elena García-Pérez; Patrick J. Merkling; Gill Vedts; Dirk E. De Vos; Gino V. Baron; Joeri F. M. Denayer
    Year: 2009
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