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Langmuir : the ACS Journal of Surfaces and Colloids|July 4, 2009
Efficient methods for screening of metal organic framework membranes for gas separations using atomically detailed modelsSeda Keskin, David S ShollThe Journal of Chemical Physics|July 2, 2009
Self-diffusion and macroscopic diffusion of hydrogen in amorphous metals from first-principles calculationsShiqiang Hao, David S ShollThe Journal of Chemical Physics|April 21, 2007
Chiral separation on a model adsorbent with periodic surface heterogeneityPaweł Szabelski, David S ShollThe Journal of Chemical Physics|September 14, 2010
Molecular chemisorption on open metal sites in Cu(3)(benzenetricarboxylate)(2): A spatially periodic density functional theory studyTaku Watanabe, David S ShollJournal of the American Chemical Society|June 24, 2004
Rapid diffusion of CH4/H2 mixtures in single-walled carbon nanotubesHaibin Chen, David S ShollThe Journal of Chemical Physics|April 17, 2008
Characterization of enantiospecific chemisorption on chiral Cu surfaces vicinal to Cu(111) and Cu(100) using density functional theoryBhawna Bhatia, David S ShollACS Applied Materials & Interfaces|July 24, 2019
Effects of Intrinsic Flexibility on Adsorption Properties of Metal-Organic Frameworks at Dilute and Nondilute LoadingsMayank Agrawal, David S ShollPhysical Chemistry Chemical Physics : PCCP|December 22, 2009
The role of interstitial H2 in hydrogen diffusion in light metal borohydridesShiqiang Hao, David S ShollLangmuir : the ACS Journal of Surfaces and Colloids|July 13, 2012
Accelerating applications of metal-organic frameworks for gas adsorption and separation by computational screening of materialsTaku Watanabe, David S ShollThe Journal of Chemical Physics|June 11, 2005
Chemisorption and diffusion of hydrogen on surface and subsurface sites of flat and stepped nickel surfacesBhawna Bhatia, David S ShollPageof 22