Computational study of the supramolecular complexation of azocompounds with cucurbit[7]uril: effects on the production and release of free radicals (vol 30, 337,2024)
Abstract
The original version of this article unfortunately contained a mistake. The photos for Figures 5 and 6 have been switched around. The incorrect Figure 5 appears below: Fig. 5 |Îμ| (green, orange), Îη (blue,glod) and ÎÏ (purple,red) values of the formation of azocompound@CB[7] complexes in the gas phase and using continuum solvent effects (A and B, respectively). All energy values are depicted in Hartree The correct Figure 5 appears below: Fig. 5 |Îμ| (green, orange), Îη (blue,glod) and ÎÏ (purple,red) values of the formation of azocompound@CB[7] complexes in the gas phase and using continuum solvent effects (A and B, respectively). All energy values are depicted in Hartree The incorrect Figure 6 appears below: Fig. 6 Chemical structure and non-covalent interactions of the charged complexes produced between radicals of azocompounds (Râ¢) and CB[7] (2Râ¢-azocompound@ CB[7]). All hydrogens attached to carbon were hidden to obtain a better picture. A, B, C, and D correspond to 2Râ¢-V22@ CB[7], 2Râ¢-AAPH@CB[7], 2Râ¢- ABIP@CB[7], and 2Râ¢-ABCVA@CB[7] complexes, respectively The correct Figure 6 appears below: Fig. 6 Chemical structure and non-covalent interactions of the charged complexes produced between radicals of azocompounds (Râ¢) and CB[7] (2Râ¢-azocompound@ CB[7]). All hydrogens attached to carbon were hidden to obtain a better picture. A, B, C, and D correspond to 2Râ¢-V22@ CB[7], 2Râ¢-AAPH@CB[7], 2Râ¢- ABIP@CB[7], and 2Râ¢-ABCVA@CB[7] complexes, respectively The original article has been corrected.
Más información
| Título según WOS: | Computational study of the supramolecular complexation of azocompounds with cucurbit[7]uril: effects on the production and release of free radicals (vol 30, 337,2024) |
| Título según SCOPUS: | Correction to: Computational study of the supramolecular complexation of azocompounds with cucurbit[7]uril: effects on the production and release of free radicals (Journal of Molecular Modeling, (2024), 30, 10, (337), 10.1007/s00894-024-06132-7) |
| Título de la Revista: | Journal of Molecular Modeling |
| Volumen: | 30 |
| Número: | 12 |
| Editorial: | Springer |
| Fecha de publicación: | 2024 |
| Idioma: | English |
| DOI: |
10.1007/s00894-024-06203-9 |
| Notas: | ISI, SCOPUS |