Computational characterization of zeolite porous networks: an automated approach

Pore size analysis of >250 000 hypothetical zeolites

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

A database of new zeolite-like materials

(2011) Ramdas Pophale et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Automatic Structure Analysis in High-Throughput Characterization of Porous Materials

(2010) Maciej Haranczyk et al.   Journal of Chemical Theory and Computation

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

Topological Descriptor for Oxygens in Zeolites. Analysis of Ring Counting in Tetracoordinated Nets

(2009) German Sastre et al.   Journal of Physical Chemistry C

Computational Discovery of New Zeolite-Like Materials

(2009) Michael W. Deem et al.   Journal of Physical Chemistry C

Navigating molecular worms inside chemical labyrinths

(2009) M. Haranczyk et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA