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Royal Society of Chemistry, New Journal of Chemistry, 18(45), p. 8345-8351, 2021

DOI: 10.1039/d1nj01510a

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On the NICS limitations to predict local and global current pathways in polycyclic systems

This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

Here, we analyze the possibility of predicting local and global current densities in a series of bicyclic hydrocarbons with 4n and 4n + 2 π-electrons from the nucleus-independent chemical shifts (NICS) computations.