Anharmonic Vibrational Spectroscopy of Germanium-Containing Clusters, Ge x C 4- x and Ge x Si 4- x ( x = 0-4), for Interstellar Detection

An extensive, high-level theoretical study on tetra-atomic germanium carbide/silicide clusters is presented. Accurate harmonic and anharmonic vibrational frequencies and rotational constants are calculated at the CCSD(T)-F12a(b)/cc-pVT(Q)Z-F12 levels of theory. With growing capabilities to discern m...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2024-07, Vol.128 (27), p.5351-5361
Hauptverfasser:	Flowers, A Mackenzie, Brown, Alex, Klobukowski, Mariusz
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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