Achieving Accuracy and Economy for Calculating Vertical Detachment Energies of Molecular Anions: A Model Chemistry Composite Methods

The vertical detachment energy (VDE) is a vital factor for predicting the stability of anions that have important applications in the atom, molecule and cluster science. Due to the synthetic or characterization difficulty of anions, accurate and efficient predictions of VDE independent of laboratory...

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Veröffentlicht in:	Chemphyschem 2024-03, Vol.25 (5), p.e202300642-n/a
Hauptverfasser:	Wang, Xiao‐juan, Ding, Yi‐hong, Tian, Xiao
Format:	Artikel
Sprache:	eng
Schlagworte:	Anions Benchmark CBS-QB3 Molecular Anions Theoretical calculation VDE
Online-Zugang:	Volltext
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