Analysis of the performance of DFT-D, M05-2X and M06-2X functionals for studying π⋯π interactions
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference54 articles.
1. Selective Stabilization of Self-Assembled Hydrogen-Bonded Molecular Capsules Through π–π Interactions
2. Free-Energy Simulations of Hydrogen Bonding versus Stacking of Nucleobases on a Graphene Surface
3. A Double Concave Hydrocarbon Buckycatcher
4. High-Accuracy Quantum Mechanical Studies of π−π Interactions in Benzene Dimers
5. The nature of .pi.-.pi. interactions
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