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A Computational Chemistry Study 10.1021/acsearthspacechem.1c00369 ACS Earth Space Chem. American Chemical Society Jessica Perrero Joan Enrique-Romero (ORCID: g/0000-0002-2147-7735) Berta Martínez-Bachs Cecilia Ceccarelli (ORCID: g/0000-0001-9664-6292) Nadia Balucani (ORCID: g/0000-0001-5121-5683) Piero Ugliengo (ORCID: g/0000-0001-8886-9832) Albert Rimola (ORCID: g/0000-0002-9637-4554) application/pdf research-article http://pubs.acs.org/doi/suppl/10.1021/acsearthspacechem.1c00369 © 2022 The Authors - License: © 2022 The Authors. Published by American Chemical Society The Authors True © 2022 The Authors - License: © 2022 The Authors. Published by American Chemical Society © 2022 The Authors - License: © 2022 The Authors. Published by American Chemical Society Issue 10.1021/acsearthspacechem.1c00369 VoR 03/07/2022 6 3 496 511 © 2022 The Authors. 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