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Materials Chemistry

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Materials Science

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Physical Chemistry

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Cory M. Simon

5 results in Authors: Cory M. Simon

Materials Science

Statistical Mechanical Model of Gas Adsorption in a Metal-Organic Framework Harboring a Rotaxane Molecular Shuttle

Jonathan Carney, David Roundy, Cory M. Simon

Version 2 posted 28 September 2020

919

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Theoretical and Computational Chemistry

Classifying the toxicity of pesticides to honey bees via support vector machines with random walk graph kernels

Ping Yang, E. Adrian Henle, Xiaoli Fern, Cory M. Simon

Version 4 posted 23 May 2022

854

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Theoretical and Computational Chemistry

PoreMatMod.jl: Julia package for in silico post-synthetic modification of crystal structure models

E. Adrian Henle, Nickolas Gantzler, Praveen K. Thallapally, Xiaoli Z. Fern, Cory M. Simon

Version 1 posted 06 October 2021

436

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Materials Chemistry

Computation-informed optimization of Ni(PyC)₂ functionalization for noble gas separations

Nickolas Gantzler, Min-Bum Kim, Alexander Robinson, Maxwell W. Terban, Sanjit Ghose, Robert E. Dinnebier, Arthur Henry York, Davide Tiana, Cory M. Simon, Praveen K. Thallapally

Version 1 posted 03 December 2021

460

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2

Citations

Materials Science

Adsorbed Xenon Propellant Storage: Are Nanoporous Materials Worth the Weight?

Melanie T. Huynh, Nickolas Gantzler, Samuel Hough, David Roundy, Praveen K. Thallapally, Cory M. Simon

Version 1 posted 29 January 2021

468

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