Computational data for: 'A permanently porous chalcogen-bonded organic framework with an unprecedented ensemble of adsorption, assembly, dynamics, and electronic properties'
Colorado School of Mines. Department of Chemistry Le Magueres, Pierre Forrest, Katherine A.
Colorado School of Mines. Department of Chemistry
Le Magueres, Pierre
Forrest, Katherine A.
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2025-08
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Computational data related to Crystal Structure Prediction, Monte Carlo Simulations, and electronic structure calculations of Trip3Tez and T2 reported in "A Permanently Porous Chalcogen-Bonded Organic Framework with an Unprecedented Ensemble of Adsorption, Assembly, Dynamics, and Electronic Properties".
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