Benchmarking computational methods and influence of guest conformation on chirogenesis in zinc porphyrin complexes
Author:
Affiliation:
1. Department of Chemistry and Biotechnology
2. Tallinn University of Technology
3. Tallinn 12618
4. Estonia
5. ICGM, University of Montpellier
6. College of Chemistry and Materials Science
7. CNRS
8. ENSCM
9. Montpellier
10. France
Abstract
Different computational methods and influence of the guest conformation and solvent effect to analyze chirogenesis in zinc porphyrins by several chiral compounds have been investigated.
Funder
South-Central University of Nationalities
Eesti Teadusagentuur
European Regional Development Fund
Haridus- ja Teadusministeerium
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP00965B
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