Comparing gas separation performance between all known zeolites and their zeolitic imidazolate framework counterparts

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

(2015) David Dubbeldam et al.   MOLECULAR SIMULATION

Transferable force fields for adsorption of small gases in zeolites

(2015) A. Martin-Calvo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

New Stories of Zeolite Structures: Their Descriptions, Determinations, Predictions, and Evaluations

(2014) Yi Li et al.   CHEMICAL REVIEWS

Construction and Characterization of Structure Models of Crystalline Porous Polymers

(2014) Richard Luis Martin et al.   CRYSTAL GROWTH & DESIGN

AuToGraFS: Automatic Topological Generator for Framework Structures

(2014) Matthew A. Addicoat et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Screening of hypothetical metal–organic frameworks for H2 storage

(2014) Diego A. Gomez et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Zeolitic imidazolate framework materials: recent progress in synthesis and applications

(2014) Binling Chen et al.   Journal of Materials Chemistry A

Alcohol and water adsorption in zeolitic imidazolate frameworks

(2013) Ke Zhang et al.   CHEMICAL COMMUNICATIONS

A Combined Experimental–Computational Investigation of Methane Adsorption and Selectivity in a Series of Isoreticular Zeolitic Imidazolate Frameworks

(2013) Yao Houndonougbo et al.   Journal of Physical Chemistry C

Sorption-Induced Structural Transition of Zeolitic Imidazolate Framework-8: A Hybrid Molecular Simulation Study

(2013) Liling Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Metal–Organic Frameworks as A Tunable Platform for Designing Functional Molecular Materials

(2013) Cheng Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The importance of lattice flexibility for the migration of ethane in ZIF-8: Molecular dynamics simulations

(2013) T. Chokbunpiam et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Experimental and computational studies on the adsorption of CO2 and N2 on pure silica zeolites

(2013) Trong D. Pham et al.   MICROPOROUS AND MESOPOROUS MATERIALS

On the inner workings of Monte Carlo codes

(2013) David Dubbeldam et al.   MOLECULAR SIMULATION

Cost-effective CO2 capture based on in silico screening of zeolites and process optimization

(2013) M. M. Faruque Hasan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The Chemistry and Applications of Metal-Organic Frameworks

(2013) H. Furukawa et al.   SCIENCE

Similarity-Driven Discovery of Zeolite Materials for Adsorption-Based Separations

(2012) Richard L. Martin et al.   CHEMPHYSCHEM

Evaluation of cation-exchanged zeolite adsorbents for post-combustion carbon dioxide capture

(2012) Tae-Hyun Bae et al.   Energy & Environmental Science

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

(2012) Juan José Gutiérrez Sevillano et al.   Journal of Physical Chemistry C

Influence of Zeolite Topology on CO2/N2 Separation Behavior: Force-Field Simulations Using a DFT-Derived Charge Model

(2012) Michael Fischer et al.   Journal of Physical Chemistry C

Large-Scale Computational Screening of Zeolites for Ethane/Ethene Separation

(2012) Jihan Kim et al.   LANGMUIR

Pervaporation studies of n-hexane, benzene, mesitylene and their mixtures on zeolitic imidazolate framework-8 membranes

(2012) Lisa Diestel et al.   MICROPOROUS AND MESOPOROUS MATERIALS

In silico screening of carbon-capture materials

(2012) Li-Chiang Lin et al.   NATURE MATERIALS

Crystal Engineering Using a “Turtlebug” Algorithm: Ade NovoApproach to the Design of Binodal Metal–Organic Frameworks

(2011) G. L. McColm et al.   CRYSTAL GROWTH & DESIGN

Screening Zeolites for Gas Separation Applications Involving Methane, Nitrogen, and Carbon Dioxide

(2011) Nathan K. Jensen et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Force Field for Molecular Dynamics Computations in Flexible ZIF-8 Framework

(2011) Bin Zheng et al.   Journal of Physical Chemistry C

Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials

(2011) Thomas F. Willems et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Large-scale screening of hypothetical metal–organic frameworks

(2011) Christopher E. Wilmer et al.   Nature Chemistry

Pore size analysis of >250 000 hypothetical zeolites

(2011) Emmanuel Haldoupis et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

In silico screening of metal–organic frameworks in separation applications

(2011) Rajamani Krishna et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Effect of air humidity on the removal of carbon tetrachloride from air using Cu–BTC metal–organic framework

(2011) Ana Martín-Calvo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Physical Adsorption Characterization of Nanoporous Materials

(2010) M. Thommes   CHEMIE INGENIEUR TECHNIK

MOFs, MILs and more: concepts, properties and applications for porous coordination networks (PCNs)

(2010) Christoph Janiak et al.   NEW JOURNAL OF CHEMISTRY

Zeolitic polyoxometalates metal organic frameworks (Z-POMOF) with imidazole ligands and ε-Keggin ions as building blocks; computational evaluation of hypothetical polymorphs and a synthesis approach

(2010) L. Marleny Rodriguez Albelo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Zeolitic imidazole frameworks: structural and energetics trends compared with their zeolite analogues

(2009) Dewi W. Lewis et al.   CRYSTENGCOMM

Transferable Force Field for Carbon Dioxide Adsorption in Zeolites

(2009) Almudena García-Sánchez et al.   Journal of Physical Chemistry C

Zeolitic Polyoxometalate-Based Metal−Organic Frameworks (Z-POMOFs): Computational Evaluation of Hypothetical Polymorphs and the Successful Targeted Synthesis of the Redox-Active Z-POMOF1

(2009) L. Marleny Rodriguez-Albelo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Storage of Hydrogen, Methane, and Carbon Dioxide in Highly Porous Covalent Organic Frameworks for Clean Energy Applications

(2009) Hiroyasu Furukawa et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Zeolitic Imidazolate Frameworks for Kinetic Separation of Propane and Propene

(2009) Kunhao Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Natural Gas Processing with Membranes:  An Overview

(2008) Richard W. Baker et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Enumeration of Not-Yet-Synthesized Zeolitic Zinc Imidazolate MOF Networks: A Topological and DFT Approach

(2008) I. A. Baburin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Colossal cages in zeolitic imidazolate frameworks as selective carbon dioxide reservoirs

(2008) Bo Wang et al.   NATURE