Articles with "def2 tzvp" as a keyword



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Lewis acid stabilized group 13–15 element analogs of ethylene

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Published in 2022 at "Journal of Computational Chemistry"

DOI: 10.1002/jcc.26867

Abstract: Stabilization of hydrogen‐substituted group 13–15 compounds H2EE′H2 (E = B, Al, Ga; E′ = P, As, Sb) by Lewis acids is considered at B3LYP/def2‐TZVP, B3LYP‐D3/def2‐TZVP and M06‐2X/def2‐TZVP levels of theory. It is shown, that for… read more here.

Keywords: group element; stabilized group; def2 tzvp; acid stabilized ... See more keywords