Banding and electronic structures of metal azides——Sensitivity and conductivity

By using both DV-Xα and EH-CO methods, the calculation studies of the structure-property relationships of a series of metal azides, of their clusters’ electronic structures in ground and excited states, of their systems with cation vacancy and the doped Pb(N3)2, as well as their crystal band structu...

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Veröffentlicht in:中国科学:化学英文版 1995 (5), p.538-545
1. Verfasser: 肖鹤鸣 李永富
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Sprache:eng
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