The Accuracy of Density Functional Theory in the Description of Cation−π and π–Hydrogen Bond Interactions
Author:
Affiliation:
1. REQUIMTE, Faculdade de Ciências do Porto, Rua do Campo Alegre S/N, 4169-007, Porto, Portugal
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct2001667
Reference64 articles.
1. Theoretical studies on the binding models of tetramethylammonium with phenol: Cation-π and hydrogen-bond interactions
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4. Additivity of Cation−π Interactions: An ab Initio Computational Study on π−Cation−π Sandwich Complexes
5. A theoretical investigation of the nature of the π-H interaction in ethene–H2O, benzene–H2O, and benzene–(H2O)2
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