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Table 2 Electronic properties of (ZnO)₃₄ and (ZnO)₆₀ nanoclusters

From: Ab Initio Study of Structural and Electronic Properties of (ZnO)_n “Magical” Nanoclusters n = (34, 60)

Isomer	E _total/ZnO, eV	ΔE/ZnO, eV	E _b/ZnO, eV	E _g, eV
(ZnO)_34-A	–50461.66	0	–6.764	2.275
(ZnO)_34-B	–50461.64	0.02	–6.748	2.151
(ZnO)_34-C	–50461.62	0.04	–6.724	2.048
(ZnO)_34-W	–50461.54	0.12	–6.645	1.124
(ZnO)_60-sodalite	–50461.744	0	–6.847	1.93
(ZnO)_60-A	–50461.734	0.01	–6.836	2.184
(ZnO)_60-B	–50461.732	0.012	–6.835	2.4
(ZnO)_60-W	–50461.699	0.045	–6.802	0.982

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