Diradical Characters of s-Indaceno[1,2,3-cd;5,6,7-c’d’]Diphenalene with and without Interaction with MgO(001)

Diradical character is important for investigating and predicting the functions of singlet biradical molecules. Singlet biradical molecules possess many unique properties, and their immobilisation by surfaces has been extensively studied for applications in devices, such as quantum computers, single...

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Veröffentlicht in:	E-journal of surface science and nanotechnology 2022/03/19, Vol.20(2), pp.59-67
Hauptverfasser:	Tada, Kohei, Ozaki, Hiroyuki, Fujimaru, Koji, Kitagawa, Yasutaka, Kawakami, Takashi, Okumura, Mitsutaka
Format:	Artikel
Sprache:	eng
Schlagworte:	AP-DFT/plane-wave calculation Diradical character Electron-density-based chemical index Molecule/surface interaction Singlet biradical molecule
Online-Zugang:	Volltext
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