Tuesday, January 8, 2019

Computational and experimental study on the index of antiaromaticity for 4n π-systems (n≥2)

Chem. Commun., 2019, Accepted Manuscript
DOI: 10.1039/C8CC09448A, Communication
T Nishinaga, Hinako Hamaoka
A linear correlation between nucleus-independent chemical shift (NICS) and relative hardness for various size of antiaromatic 4n π-systems (n≥2) was revealed with HF computations using the gauge-including atomic orbital (GIAO)...
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