Modeling the Structural and Thermal Properties of Loaded Metal–Organic Frameworks. An Interplay of Quantum and Anharmonic Fluctuations-Reference-Cited by-同舟云学术

Modeling the Structural and Thermal Properties of Loaded Metal–Organic Frameworks. An Interplay of Quantum and Anharmonic Fluctuations

Author:

Kapil Venkat¹^ORCID,Wieme Jelle²^ORCID,Vandenbrande Steven²,Lamaire Aran²,Van Speybroeck Veronique²^ORCID,Ceriotti Michele¹^ORCID

Affiliation:

1. Laboratory of Computational Science and Modelling, Institute of Materials, Ecole Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland

2. Center for Molecular Modeling, Ghent University, Tech Lane Ghent Science Park Campus A, Technologiepark 46, 9052 Zwijnaarde, Belgium

Funder

Universiteit Gent

H2020 European Research Council

Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung

Fonds Wetenschappelijk Onderzoek

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

Reference87 articles.

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