Title: Atomistic Model for Water Adsorption in Mg-MOF-74: Quantum Chemical Prediction of Structures and Isotherms

Authors: Nicole Mancini; Fabian Berger; Marcin Rybicki; Kaido Sillar; Joachim Sauer

DOI: 10.1021/jacs.6c01686

Date: 2026-03-16

Working Group: WG2

Grant Period: GP4

Grant Period Goal (number): GAPG-4

Covered deliverables from the MoU (number): 2.1.1

Countries involved: Estonia

Number of female/young/ITC coauthors: 1

Is the publication open access?: Yes

Is the publication co-lead by a YRI?: No

Abstract:

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