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Langmuir : the ACS Journal of Surfaces and Colloids|July 10, 2015
DFT-Derived Force Fields for Modeling Hydrocarbon Adsorption in MIL-47(V)Ambarish R Kulkarni, David S ShollLangmuir : the ACS Journal of Surfaces and Colloids|September 6, 2006
Structures of dense glycine and alanine adlayers on chiral Cu(3,1,17) surfacesRees B Rankin, David S ShollThe Journal of Physical Chemistry. B|July 21, 2006
Structures of glycine, enantiopure alanine, and racemic alanine adlayers on Cu(110) and Cu(100) surfacesRees B Rankin, David S ShollThe Journal of Physical Chemistry. B|July 21, 2006
Predictive assessment of surface resistances in zeolite membranes using atomically detailed modelsDavid A Newsome, David S ShollJournal of Colloid and Interface Science|May 19, 2007
Brownian dynamics simulations of copolymer-stabilized nanoparticles in the presence of an oil-water interfaceAbdulwahab S Almusallam, David S ShollInorganic Chemistry|November 1, 2014
First-principles prediction of new complex transition metal hydrides for high temperature applicationsKelly M Nicholson, David S ShollThe Journal of Physical Chemistry. C, Nanomaterials and Interfaces|September 24, 2025
Equilibrium Separation of Siloxanes in Metal-Organic FrameworksJia Yuan Chng, David S ShollJournal of Chemical Theory and Computation|November 25, 2015
Methods for Computing Accurate Atomic Spin Moments for Collinear and Noncollinear Magnetism in Periodic and Nonperiodic MaterialsThomas A Manz, David S ShollThe Journal of Physical Chemistry. B|July 21, 2006
Self-diffusion and transport diffusion of light gases in metal-organic framework materials assessed using molecular dynamics simulationsAnastasios I Skoulidas, David S ShollThe Journal of Chemical Physics|February 25, 2006
First-principles studies of chiral step reconstructions of Cu(100) by adsorbed glycine and alanineRees B Rankin, David S ShollPageof 22