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The 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 ShollIndustrial & Engineering Chemistry Research|July 31, 2023
Thermodynamic Evidence for Type II Porous LiquidsIsaiah Borne, Kartik Saigal, Christopher W Jones, et al.Chem & Bio Engineering|April 3, 2024
Alumina Incorporation in Self-Supported Poly(ethylenimine) Sorbents for Direct Air CapturePavithra Narayanan, Pranav Guntupalli, Ryan P Lively, et al.ACS Applied Materials & Interfaces|November 18, 2025
Electrically Conductive Amine Functionalized Reduced Graphite Oxide Foam for CO2 Removal from the AirMinGyu Song, Jaedeok Kim, Christopher W Jones, et al.Angewandte Chemie (International Ed. in English)|March 24, 2026
Matrimid-Derived Asymmetric Carbon Molecular Sieve Hollow Fibers With Engineered Ultramicropores for Precise Helium SeparationZhongyun Liu, Yuhe Cao, Ryan P Lively, et al.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 ShollThe Journal of Chemical Physics|May 17, 2011
Osmotic ensemble methods for predicting adsorption-induced structural transitions in nanoporous materials using molecular simulationsJi Zang, Sankar Nair, David S ShollJournal 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 ShollThe Journal of Chemical Physics|November 20, 2004
First-principles study of C adsorption, O adsorption, and CO dissociation on flat and stepped Ni surfacesTao Li, Bhawna Bhatia, David S ShollThe Journal of Physical Chemistry. C, Nanomaterials and Interfaces|January 15, 2025
Assessment of Long-Term Degradation of Adsorbents for Direct Air Capture by OzonolysisShubham Jamdade, Xuqing Cai, David S ShollPageof 22