Computational screening of hydrophobic metal–organic frameworks for the separation of H2S and CO2 from natural gas

High-throughput computational screening of metal-organic framework membranes for upgrading of natural gas

(2018) Zhiwei Qiao et al.   JOURNAL OF MEMBRANE SCIENCE

High-Throughput Computational Screening of Metal–Organic Frameworks for Thiol Capture

(2017) Zhiwei Qiao et al.   Journal of Physical Chemistry C

Metal–organic frameworks to satisfy gas upgrading demands: fine-tuning the soc-MOF platform for the operative removal of H2S

(2017) Youssef Belmabkhout et al.   Journal of Materials Chemistry A

Identifying Optimal Zeolitic Sorbents for Sweetening of Highly Sour Natural Gas

(2016) Mansi S. Shah et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Inside front cover

(2016)   CHEMICAL COMMUNICATIONS

Molecular Design of Zirconium Tetrazolate Metal–Organic Frameworks for CO2 Capture

(2016) Kang Zhang et al.   CRYSTAL GROWTH & DESIGN

Capture of H 2 S and SO 2 from trace sulfur containing gas mixture by functionalized UiO-66(Zr) materials: A molecular simulation study

(2016) Zhi Li et al.   FLUID PHASE EQUILIBRIA

In silico screening of 4764 computation-ready, experimental metal–organic frameworks for CO2 separation

(2016) Zhiwei Qiao et al.   Journal of Materials Chemistry A

High-throughput computational screening of 137953 metal–organic frameworks for membrane separation of a CO2/N2/CH4 mixture

(2016) Zhiwei Qiao et al.   Journal of Materials Chemistry A

In silico discovery of metal-organic frameworks for precombustion CO2 capture using a genetic algorithm

(2016) Y. G. Chung et al.   Science Advances

Functionalization of Metal–Organic Framework via Mixed-Ligand Strategy for Selective CO2 Sorption at Ambient Conditions

(2015) Di-Ming Chen et al.   CRYSTAL GROWTH & DESIGN

Thorium Terephthalates Coordination Polymers Synthesized in Solvothermal DMF/H2O System

(2015) Clément Falaise et al.   INORGANIC CHEMISTRY

Development of the Transferable Potentials for Phase Equilibria Model for Hydrogen Sulfide

(2015) Mansi S. Shah et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

(2015) David Dubbeldam et al.   MOLECULAR SIMULATION

Computation-Ready, Experimental Metal–Organic Frameworks: A Tool To Enable High-Throughput Screening of Nanoporous Crystals

(2014) Yongchul G. Chung et al.   CHEMISTRY OF MATERIALS

Enlarging an Isoreticular Family: 3,3′,5,5′-Tetramethyl-4,4′-bipyrazolato-Based Porous Coordination Polymers

(2013) Aurel Tăbăcaru et al.   CRYSTAL GROWTH & DESIGN

New silver BioMOFs driven by 1,3,5-triaza-7-phosphaadamantane-7-sulfide (PTAS): synthesis, topological analysis and antimicrobial activity

(2013) Sabina W. Jaros et al.   CRYSTENGCOMM

Solvothermal syntheses and crystal structures of one 1D and two 3D [PbxIy]-based coordination polymers

(2013) Zhen-Jun Huang et al.   INORGANIC CHEMISTRY COMMUNICATIONS

Large-Scale Quantitative Structure–Property Relationship (QSPR) Analysis of Methane Storage in Metal–Organic Frameworks

(2013) Michael Fernandez et al.   Journal of Physical Chemistry C

Fast and Accurate Electrostatics in Metal Organic Frameworks with a Robust Charge Equilibration Parameterization for High-Throughput Virtual Screening of Gas Adsorption

(2013) Eugene S. Kadantsev et al.   Journal of Physical Chemistry Letters

The Chemistry and Applications of Metal-Organic Frameworks

(2013) H. Furukawa et al.   SCIENCE

A Series of Isoreticular, Highly Stable, Porous Zirconium Oxide Based Metal-Organic Frameworks

(2012) V. Guillerm et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Construction of Three-Dimensional Cobalt(II)-Based Metal–Organic Frameworks by Synergy between Rigid and Semirigid Ligands

(2012) Weiting Yang et al.   CRYSTAL GROWTH & DESIGN

Structure–property relationships of porous materials for carbon dioxide separation and capture

(2012) Christopher E. Wilmer et al.   Energy & Environmental Science

Accelerating Applications of Metal–Organic Frameworks for Gas Adsorption and Separation by Computational Screening of Materials

(2012) Taku Watanabe et al.   LANGMUIR

In silico screening of carbon-capture materials

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

Carbon Dioxide Capture in Metal–Organic Frameworks

(2011) Kenji Sumida et al.   CHEMICAL REVIEWS

Metal–Organic Frameworks for Separations

(2011) Jian-Rong Li et al.   CHEMICAL REVIEWS

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

Investigation on structures, luminescent and magnetic properties of LnIII–M (M = FeIIHS, CoII) coordination polymers

(2010) Xiao-Qing Zhao et al.   DALTON TRANSACTIONS

Metal−Organic Frameworks Containing a Tetrapyridylcyclobutane Ligand Derived from Isomerization Reaction

(2010) Abdul Malik Puthan Peedikakkal et al.   INORGANIC CHEMISTRY

Efficient Calculation of Diffusion Limitations in Metal Organic Framework Materials: A Tool for Identifying Materials for Kinetic Separations

(2010) Emmanuel Haldoupis et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A series of three-dimensional 3d–4f heterometallic coordination frameworks based on pyridinedicarboxylic acid

(2010) Rong He et al.   STRUCTURAL CHEMISTRY

Natural gas treating by selective adsorption: Material science and chemical engineering interplay

(2009) Marco Tagliabue et al.   CHEMICAL ENGINEERING JOURNAL

New Insights on CO2−Methane Separation Using LTA Zeolites with Different Si/Al Ratios and a First Comparison with MOFs

(2009) Miguel Palomino et al.   LANGMUIR

Amine Scrubbing for CO2 Capture

(2009) G. T. Rochelle   SCIENCE

Molecular Screening of Metal−Organic Frameworks for CO2Storage

(2008) Ravichandar Babarao et al.   LANGMUIR