Performance of Localized Coupled Cluster Methods in a Moderately Strong Correlation Regime: Hückel–Möbius Interconversions in Expanded Porphyrins
Author:
Affiliation:
1. Department of Organic Chemistry, Weizmann Institute of Science, 76100 Reḥovot, Israel
2. Department of General Chemistry (ALGC), Vrije Universiteit Brussel (VUB), Pleinlaan 2, 1050 Brussels, Belgium
Funder
Israel Science Foundation
Feinberg Graduate School, Weizmann Institute of Science
Vrije Universiteit Brussel
Fonds Wetenschappelijk Onderzoek
Estate of Emile Mimran
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00297
Reference69 articles.
1. Chemistry of meso-Aryl-Substituted Expanded Porphyrins: Aromaticity and Molecular Twist
2. The Rise of Near-Infrared Emitters: Organic Dyes, Porphyrinoids, and Transition Metal Complexes
3. Design of Hückel–Möbius Topological Switches with High Nonlinear Optical Properties
4. Hexaphyrin as a Potential Theranostic Dye for Photothermal Therapy and19F Magnetic Resonance Imaging
5. Reversible π-system switching of thiophene-fused thiahexaphyrins by solvent and oxidation/reduction
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