المؤلفون: Michelle Ernst (10534382), Ganna Gryn'ova (10229027)

مصطلحات موضوعية: Nanostructured Materials - Materials, Computational Chemistry and Modeling, metal-organic frameworks (MOFs), non-covalent interactions, interaction energy analysis, QTAIM calculations, non-covalent interaction (NCI) index, Density Function Theory, symmetry-adapted perturbation theory computations, Density Overlap Regions Indicator

Relation: https://figshare.com/articles/preprint/Strength_and_Nature_of_Host-Guest_Interactions_in_Metal-Organic_Frameworks_from_a_Quantum-Chemical_Perspective/14363024

الاتاحة: https://doi.org/10.26434/chemrxiv.14363024.v1