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. 2019 Mar 30;24(7):1250. doi: 10.3390/molecules24071250

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© 2019 by the authors.

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 (http://creativecommons.org/licenses/by/4.0/).

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LUMO of Ph₂Te₂: relaxed geometry (left) and geometry with the maximum imposed Te–Te bond deformation (right). Isodensity 0.05 a.u. Level of theory: ZORA-OPBE/QZ4Pae//ZORA-OPBE/TZ2P.