Benchmarking Cation−π Interactions: Assessment of Density Functional Theory and Möller–Plesset Second-Order Perturbation Theory Calculations with Optimized Basis Sets (mp2mod) for Complexes of Benzene, Phenol, and Catechol with Na+, K+, Rb+, and Cs+
Author:
Affiliation:
1. Istituto di Chimica dei Composti OrganoMetallici (ICCOM-CNR), Area della Ricerca, via G. Moruzzi 1, I-56124 Pisa, Italy
2. Dipartimento di Scienze Chimiche, Università di Napoli Federico II, I-80126 Napoli, Italy
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.0c02090
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5. Koenig, A. L.; Waters, M. L. In Aromatic Interactions: Frontiers in Knowledge and Application ; Johnson, D. W., Hof, F., Ed. Monographs in Supramolecular Chemistry, Vol. 20; RSC, 2017; pp 214–237.
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