He2@C60: Thoughts of the concept of a molecule and of the concept of a bond in quantum chemistry

We present a broad palette of discussions of the concepts of a molecule and a chemical bond that always lay down behind all computational modeling in quantum chemistry and of the endohedral fullerene He2@C60 in particular. For this purpose, we offer the definition of quantum chemistry as composed of...

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Veröffentlicht in:	International journal of quantum chemistry 2015-07, Vol.115 (14), p.859-867
Hauptverfasser:	Kryachko, Eugene S., Nikolaienko, Tymofii Yu
Format:	Artikel
Sprache:	eng
Schlagworte:	bond Chemistry DFT He2@C60 endohedral fullerene molecule Physical chemistry quantum chemistry Quantum physics
Online-Zugang:	Volltext
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