Exploring the Structure and Bonding of Group 13 Homogeneous and Heterogeneous Hydrides with the X2H4 Stoichiometry: A Theoretical Investigation

We investigated the structure evolution of the Group 13 hydrides on the example of X2H4 (X = B, Al, Ga, In, Tl) and BAlH4, AlGaH4, GaInH4, and InTlH4 stoichiometries via density functional theory (DFT) and ab initio quantum chemistry methods performing Coalescence Kick (CK) global minimum search and...

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Veröffentlicht in:	Inorganic chemistry 2023-05, Vol.62 (20), p.8019-8026
Hauptverfasser:	Pozdeev, Anton S., Boldyrev, Alexander I.
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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