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Benchmarking Cation Interactions: Assessment of Density Functional Theory and MollerPlesset Second-Order Perturbation Theory Calculations With Optimized Basis Sets (Mp2mod) for Complexes of Benzene, Phenol and Catechol With Na+, K+, Rb+, and Cs+
doi 10.1021/acs.jpca.0c02090.s001
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American Chemical Society (ACS)
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