Computational identification of organic porous molecular crystals

Homochiral Porous Organic Cage with High Selectivity for the Separation of Racemates in Gas Chromatography

(2015) Jun-Hui Zhang et al.   ANALYTICAL CHEMISTRY

Synthesis and Applications of Porous Organic Cages

(2015) Jack D. Evans et al.   CHEMISTRY LETTERS

Porous Organic Cages for Gas Chromatography Separations

(2015) Adam Kewley et al.   CHEMISTRY OF MATERIALS

Will it crystallise? Predicting crystallinity of molecular materials

(2015) Jerome G. P. Wicker et al.   CRYSTENGCOMM

Molecular Design of Amorphous Porous Organic Cages for Enhanced Gas Storage

(2015) Jack D. Evans et al.   Journal of Physical Chemistry C

A Permanent Mesoporous Organic Cage with an Exceptionally High Surface Area

(2014) Gang Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

Metal-organic polyhedra 18 mixed-matrix membranes for gas separation

(2014) Edson V. Perez et al.   JOURNAL OF MEMBRANE SCIENCE

Gas Diffusion in a Porous Organic Cage: Analysis of Dynamic Pore Connectivity Using Molecular Dynamics Simulations

(2014) Daniel Holden et al.   Journal of Physical Chemistry C

In silico Design of Porous Polymer Networks: High-Throughput Screening for Methane Storage Materials

(2014) Richard L. Martin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Separation of rare gases and chiral molecules by selective binding in porous organic cages

(2014) Linjiang Chen et al.   NATURE MATERIALS

Kinetically Controlled Porosity in a Robust Organic Cage Material

(2013) Antonio Avellaneda et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Mail-Order Metal–Organic Frameworks (MOFs): Designing Isoreticular MOF-5 Analogues Comprising Commercially Available Organic Molecules

(2013) Richard L. Martin et al.   Journal of Physical Chemistry C

Feasibility of Mixed Matrix Membrane Gas Separations Employing Porous Organic Cages

(2013) Jack D. Evans et al.   Journal of Physical Chemistry C

Molecular Dynamics Simulations of Gas Selectivity in Amorphous Porous Molecular Solids

(2013) Shan Jiang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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

Porous organic molecular materials

(2012) Jian Tian et al.   CRYSTENGCOMM

High-Throughput Characterization of Porous Materials Using Graphics Processing Units

(2012) Jihan Kim et al.   Journal of Chemical Theory and Computation

Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters

(2012) James J. P. Stewart   JOURNAL OF MOLECULAR MODELING

Addressing Challenges of Identifying Geometrically Diverse Sets of Crystalline Porous Materials

(2011) Richard Luis Martin et al.   Journal of Chemical Information and Modeling

Semiempirical Quantum Mechanical Method PM6-DH2X Describes the Geometry and Energetics of CK2-Inhibitor Complexes Involving Halogen Bonds Well, While the Empirical Potential Fails

(2011) Petr Dobeš et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Porous Organic Cage Nanocrystals by Solution Mixing

(2011) Tom Hasell et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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

Porous organic molecular solids by dynamic covalent scrambling

(2011) Shan Jiang et al.   Nature Communications

Nanoporous Organics Enter the Cage Age

(2010) Andrew I. Cooper   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

On-Off Porosity Switching in a Molecular Organic Solid

(2010) James T. A. Jones et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

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

Nitrogen and Hydrogen Adsorption by an Organic Microporous Crystal

(2009) Kadhum J. Msayib et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

QSPR Study on the Estimation of Solubility of Drug-like Organic Compounds: A Case of Barbiturates

(2009) Bruno Louis et al.   Chemical Biology & Drug Design

Porous organic cages

(2009) Tomokazu Tozawa et al.   NATURE MATERIALS

Methane, carbon dioxide and hydrogen storage in nanoporous dipeptide-based materials

(2008) Angiolina Comotti et al.   CHEMICAL COMMUNICATIONS