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Category: Theoretical and Computational Chemistry

Local Structure Order Parameters and Site Fingerprints for Quantification of Coordination Environment and Crystal Structure Similarity

, Authors: Nils Zimmermann, Anubhav Jain

Version 1 posted 03 May 2019

677

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Category: Materials Chemistry

MOSAEC-DB: A comprehensive database of experimental metal-organic frameworks with verified chemical accuracy suitable for molecular simulations

, Authors: Marco Gibaldi, Anna Kapeliukha, Andrew White, Jun Luo, R. Alex Mayo, Jake Burner, Tom Woo

Version 1 posted 05 November 2024

125

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ISSN 2573-2293 (Online) ChemRxiv Archive

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