3× Axial vs 3× Equatorial: The ΔGGA Value Is a Robust Computational Measure of Substituent Steric Effects
Author:
Affiliation:
1. School of Chemistry, University of Bristol, Cantock’s Close, Bristol BS8 1TS, U.K.
Funder
Engineering and Physical Sciences Research Council
University of Bristol
Publisher
American Chemical Society (ACS)
Subject
Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis
Link
https://pubs.acs.org/doi/pdf/10.1021/jacs.1c04247
Reference45 articles.
1. How Big is the Pinacol Boronic Ester as a Substituent?
2. Neighboring Carbon and Hydrogen. XIX. t-Butylcyclohexyl Derivatives. Quantitative Conformational Analysis
3. b Experimental A values listed in Table 1 are taken from: Eliel, E. L.; Wilen, S. H.; Mander, L. Stereochemistry of Organic Compounds; John Wiley & Sons, 1994; p 696.
4. σ/σ- and π/π-Interactions Are Equally Important: Multilayered Graphanes
5. b The systematic name for [13]G-COOMe is based on aromatic hydrocarbon phenalene: methyl (3as,6as,9as)-dodecahydro-3a1H-phenalene-3a1-carboxylate.
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