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Erratum to “Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems”

26 October 2022, Version 1
Working Paper
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

This erratum corrects independent gradient model based on Hirshfeld partition of molecular density (IGMH) proposed in our previous paper (J. Comput. Chem. 2022, 43, 539–555), and a brief analysis shows why IGMH based on incorrect implementation (inversed sign) of gradient of free-state atomic densities works surprisingly better for graphically representing interaction regions of chemical systems than based on mathematically correct implementation.

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Version History

Oct 26, 2022 Version 1

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The content is available under CC BY NC ND 4.0 [opens in a new tab]

DOI

10.26434/chemrxiv-2022-g1m34
D O I: 10.26434/chemrxiv-2022-g1m34 [opens in a new tab]

Author’s competing interest statement

The author(s) have declared they have no conflict of interest with regard to this content

Ethics

The author(s) have declared ethics committee/IRB approval is not relevant to this content

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