Design principles for microporous organic solids from predictive computational screening

Large-Scale Screening of Zeolite Structures for CO2 Membrane Separations

(2013) Jihan Kim et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Toward Effective CO2/CH4 Separations by Sulfur-Containing PIMs via Predictive Molecular Simulations

(2013) Kyle E. Hart et al.   MACROMOLECULES

Organic molecules of intrinsic microporosity: Characterization of novel microporous materials

(2013) Annalaura Del Regno et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Analysis of force fields and BET theory for polymers of intrinsic microporosity

(2013) Kyle E. Hart et al.   MOLECULAR SIMULATION

An Efficient Polymer Molecular Sieve for Membrane Gas Separations

(2013) M. Carta et al.   SCIENCE

Polymatic: a generalized simulated polymerization algorithm for amorphous polymers

(2013) Lauren J. Abbott et al.   THEORETICAL CHEMISTRY ACCOUNTS

Rational Construction of an Extrinsic Porous Molecular Crystal with an Extraordinary High Specific Surface Area

(2012) Michael Mastalerz et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A shape-persistent exo-functionalized [4 + 6] imine cage compound with a very high specific surface area

(2012) Markus W. Schneider et al.   CHEMICAL COMMUNICATIONS

Exo-Functionalized Shape-Persistent [2+3] Cage Compounds: Influence of Molecular Rigidity on Formation and Permanent Porosity

(2012) Markus W. Schneider et al.   CHEMISTRY-A EUROPEAN JOURNAL

Permanent Porous Materials from Discrete Organic Molecules-Towards Ultra-High Surface Areas

(2012) Michael Mastalerz   CHEMISTRY-A EUROPEAN JOURNAL

Conjugated porous polymers for energy applications

(2012) Filipe Vilela et al.   Energy & Environmental Science

Characterizing the Structure of Organic Molecules of Intrinsic Microporosity by Molecular Simulations and X-ray Scattering

(2012) Lauren J. Abbott et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

(2012) Taku Watanabe et al.   LANGMUIR

Phthalimide based polymers of intrinsic microporosity

(2012) Saad Makhseed et al.   POLYMER

Thermodynamic analysis of Xe/Kr selectivity in over 137 000 hypothetical metal–organic frameworks

(2012) Benjamin J. Sikora et al.   Chemical Science

Highly Stable Porous Polymer Networks with Exceptionally High Gas-Uptake Capacities

(2011) Daqiang Yuan et al.   ADVANCED MATERIALS

Periphery-Substituted [4+6] Salicylbisimine Cage Compounds with Exceptionally High Surface Areas: Influence of the Molecular Structure on Nitrogen Sorption Properties

(2011) Markus W. Schneider et al.   CHEMISTRY-A EUROPEAN JOURNAL

A “click-based” porous organic polymer from tetrahedral building blocks

(2011) Prativa Pandey et al.   JOURNAL OF MATERIALS CHEMISTRY

Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages

(2011) Michael J. Bojdys et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Towards Chiral Microporous Soluble Polymers-Binaphthalene-Based Polyimides

(2011) Nicola Ritter et al.   MACROMOLECULAR RAPID COMMUNICATIONS

Atomistic Structure Generation and Gas Adsorption Simulations of Microporous Polymer Networks

(2011) Lauren J. Abbott et al.   MACROMOLECULES

Molecular Simulations of PIM-1-like Polymers of Intrinsic Microporosity

(2011) Gregory S. Larsen et al.   MACROMOLECULES

Computational structure characterisation tools in application to ordered and disordered porous materials

(2011) Lev Sarkisov et al.   MOLECULAR SIMULATION

Modeling Amorphous Porous Materials and Confined Fluids

(2011) Lev D. Gelb   MRS BULLETIN

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

Porous organic molecular solids by dynamic covalent scrambling

(2011) Shan Jiang et al.   Nature Communications

Porous Organic Polymers in Catalysis: Opportunities and Challenges

(2011) Parminder Kaur et al.   ACS Catalysis

A Salicylbisimine Cage Compound with High Surface Area and Selective CO2/CH4 Adsorption

(2010) Michael Mastalerz et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

ISAACS– interactive structure analysis of amorphous and crystalline systems

(2010) Sébastien Le Roux et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Nanoporous molecular crystals

(2010) Neil B. McKeown   JOURNAL OF MATERIALS CHEMISTRY

High Surface Area Networks from Tetrahedral Monomers: Metal-Catalyzed Coupling, Thermal Polymerization, and “Click” Chemistry

(2010) James R. Holst et al.   MACROMOLECULES

Exploitation of Intrinsic Microporosity in Polymer-Based Materials

(2010) Neil B. McKeown et al.   MACROMOLECULES

Structural Characterization of a Polymer of Intrinsic Microporosity: X-ray Scattering with Interpretation Enhanced by Molecular Dynamics Simulations

(2010) Amanda G. McDermott et al.   MACROMOLECULES

Porous organic molecules

(2010) James R. Holst et al.   Nature Chemistry

Amorphous Molecular Organic Solids for Gas Adsorption

(2009) Jian Tian et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Targeted Synthesis of a Porous Aromatic Framework with High Stability and Exceptionally High Surface Area

(2009) Teng Ben et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Iptycenes in supramolecular and materials chemistry

(2009) Jonathan H. Chong et al.   CHEMICAL SOCIETY REVIEWS

Porous organic cages

(2009) Tomokazu Tozawa et al.   NATURE MATERIALS

Synthetic Control of the Pore Dimension and Surface Area in Conjugated Microporous Polymer and Copolymer Networks

(2008) Jia-Xing Jiang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY