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+

标题
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+
作者
关键词
-
出版物
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 124, Issue 17, Pages 3445-3459
出版商
American Chemical Society (ACS)
发表日期
2020-04-10
DOI
10.1021/acs.jpca.0c02090

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