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. 2021 Jun 16;26(12):3680. doi: 10.3390/molecules26123680

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© 2021 by the author.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).

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Atomic strain energy due to conservation laws are shown in a. u. (1 a. u. = 2626 kJ/mol). The estimates for the atoms H through Ar are obtained from a simplified and extended form of Thomas-Fermi theory. See references [32,33,50] for more detail.