The role of dispersion correction to DFT for modelling weakly bound molecular complexes in the ground and excited electronic states
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference52 articles.
1. Quantum Chemistry of Complex Systems
2. Integrated computational strategies for UV/vis spectra of large molecules in solution
3. Interplay of Electronic, Environmental, and Vibrational Effects in Determining the Hyperfine Coupling Constants of Organic Free Radicals
4. Aromatic-Aromatic Interaction: A Mechanism of Protein Structure Stabilization
5. A Polymolecular Donor-Acceptor Stack Made of Paraquat and a 1, 5-Dihydroxynaphthalene- Derived Crown Ether
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