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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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(A) HOMO (left) and LUMO (right) orbitals of PhTeH. (B) HOMO (left) and LUMO (right) orbitals of PhTeH at the maximum imposed deformation of the Te–H bond (2.66 Å). Isodensity 0.05 a.u. Level of theory: ZORA-OPBE/QZ4Pae//ZORA-OPBE/TZ2P.