2021
DOI: 10.1021/acsomega.1c02718
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Correction to “In Silico Analysis of the Electronic Delocalization in Some Double Fused-Ring Metallabenzenes”

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“…Isosurfaces of the z-component of the induced magnetic field, B z ind , were employed as a measure of the magnetic response and it is equivalent to the z-component of the NICS (also known as NICS zz ). B z ind and B z ind have been employed in several kinds of molecules such as borazine and other metallacycles. Also, the profiles of B z ind (and NICS) were computed for a numerical comparison between the molecules. The profiles’ tensors were computed with the Gaussian 09 program with the PBE0 functional ,, and the Jorge-atzp basis .…”
Section: Methodology and Computational Detailsmentioning
confidence: 99%
“…Isosurfaces of the z-component of the induced magnetic field, B z ind , were employed as a measure of the magnetic response and it is equivalent to the z-component of the NICS (also known as NICS zz ). B z ind and B z ind have been employed in several kinds of molecules such as borazine and other metallacycles. Also, the profiles of B z ind (and NICS) were computed for a numerical comparison between the molecules. The profiles’ tensors were computed with the Gaussian 09 program with the PBE0 functional ,, and the Jorge-atzp basis .…”
Section: Methodology and Computational Detailsmentioning
confidence: 99%