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List of works by David S. Sholl

A Strong Test of Atomically Detailed Models of Molecular Adsorption in Zeolites Using Multilaboratory Experimental Data for CO2 Adsorption in Ammonium ZSM-5

scientific article published on 03 January 2020

Acid Gas Adsorption on Metal-Organic Framework Nanosheets as a Model of an "All-Surface" Material.

scientific article published on 21 February 2017

Assessing the Impact of Point Defects on Molecular Diffusion in ZIF-8 Using Molecular Simulations

scientific article published on 06 July 2018

Determining Diffusion Coefficients of Chemical Warfare Agents in Metal-Organic Frameworks

scientific article published on 05 December 2019

Does repeat synthesis in materials chemistry obey a power law?

scientific article published on 26 December 2019

Effects of Intrinsic Flexibility on Adsorption Properties of Metal-Organic Frameworks at Dilute and Nondilute Loadings

scientific article published on 15 August 2019

Efficiently Exploring Adsorption Space to Identify Privileged Adsorbents for Chemical Separations of a Diverse Set of Molecules

scientific article published on 17 April 2018

Five Easy Ways To Make Your Research More Reproducible

scientific article published on 03 October 2019

Gaussian approximation of dispersion potentials for efficient featurization and machine-learning predictions of metal–organic frameworks

scientific article published in 2022

Lattice-Gas Modeling of Adsorbate Diffusion in Mixed-Linker Zeolitic Imidazolate Frameworks: Effect of Local Imidazolate Ordering

scientific article

Monolith-Supported Amine-Functionalized Mg2(dobpdc) Adsorbents for CO2 Capture

scientific article published on 25 April 2017

Quantitatively Predicting Impact of Structural Flexibility on Molecular Diffusion in Small Pore Metal–Organic Frameworks—A Molecular Dynamics Study of Hypothetical ZIF-8 Polymorphs

scientific article published in 2020

Recovery of Acid-Gas-Degraded Zeolitic Imidazolate Frameworks by Solvent-Assisted Crystal Redemption (SACRed).

scientific article

Structural and Mechanistic Differences in Mixed-Linker Zeolitic Imidazolate Framework Synthesis by Solvent Assisted Linker Exchange and de Novo Routes.

scientific article

TCE dechlorination rates, pathways, and efficiency of nanoscale iron particles with different properties

scientific article published in March 2005

Writing Theory and Modeling Papers For Langmuir - The Good, The Bad and The Ugly.

scientific article published on 12 January 2018

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