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Physical Chemistry Chemical Physics : PCCP|February 4, 2011
Pore size analysis of >250,000 hypothetical zeolitesEmmanuel Haldoupis, Sankar Nair, David S Sholl
Journal of the American Chemical Society|May 11, 2010
Efficient calculation of diffusion limitations in metal organic framework materials: a tool for identifying materials for kinetic separationsEmmanuel Haldoupis, Sankar Nair, David S Sholl
Journal of the American Chemical Society|February 15, 2012
Finding MOFs for highly selective CO2/N2 adsorption using materials screening based on efficient assignment of atomic point chargesEmmanuel Haldoupis, Sankar Nair, David S Sholl
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|July 20, 2012
Quantifying large effects of framework flexibility on diffusion in MOFs: CH4 and CO2 in ZIF-8Emmanuel Haldoupis, Taku Watanabe, Sankar Nair, et al.
Journal of the American Chemical Society|April 8, 2017
Structural and Mechanistic Differences in Mixed-Linker Zeolitic Imidazolate Framework Synthesis by Solvent Assisted Linker Exchange and de Novo RoutesKrishna C Jayachandrababu, David S Sholl, Sankar Nair
Journal of the American Chemical Society|November 26, 2015
Temperature and Loading-Dependent Diffusion of Light Hydrocarbons in ZIF-8 as Predicted Through Fully Flexible Molecular SimulationsRoss J Verploegh, Sankar Nair, David S Sholl
Physical Chemistry Chemical Physics : PCCP|December 22, 2009
Computational identification of a metal organic framework for high selectivity membrane-based CO2/CH4 separations: Cu(hfipbb)(H2hfipbb)0.5Taku Watanabe, Seda Keskin, Sankar Nair, et al.
ACS Nano|June 24, 2009
Self-diffusion of water and simple alcohols in single-walled aluminosilicate nanotubesJi Zang, Suchitra Konduri, Sankar Nair, et al.
The Journal of Physical Chemistry Letters|July 13, 2022
Kinetic Model of Acid Gas Induced Defect Propagation in Zeolitic Imidazolate FrameworksKai Cui, Sankar Nair, David S Sholl, et al.
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