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Supplement 1

Name: Supplement 1
Published: 2024-06-06T11:55:28+00:00
License: https://creativecommons.org/licenses/by/4.0/
Keywords: Hydrated cation-π interactions, DFT calculations, Hydration effects, Aromatic rings

dataset

posted on 2024-06-06, 11:55 authored by Liuhua Mu, Guosheng Shi, Haiping Fang

See the supplementary material for optimized geometries of the cation-(H2O)n@graphene and cation-(H2O)n clusters, and the Mulliken charges of cation-(H2O)n@graphene clusters.