Computational screening of chemically active metal center in coordinated dipyridyl tetrazine network

Creation, stabilization, characterization, and control of single transition metal (TM) atoms may lead to significant advancement of the next-generation catalyst. Metal organic network (MON) in which single TM atoms are coordinated and separated by organic ligands is a promising class of material tha...

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Veröffentlicht in:	Journal of physics. Condensed matter 2023-04, Vol.35 (15), p.154001
Hauptverfasser:	Din, Naseem Ud, Le, Duy, Rahman, Talat S
Format:	Artikel
Sprache:	eng
Schlagworte:	catalysis density functional theory metal organic network transition metal
Online-Zugang:	Volltext
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