Structure and stability of the Al(OH)3 polymorphs doyleite and nordstrandite: a quantum mechanical ab initio study with the CRYSTAL06 code.

作者: Raffaella Demichelis , Michele Catti , Roberto Dovesi

DOI: 10.1021/JP810084C

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摘要: The crystal structures and relative energies of doyleite nordstrandite, two the four aluminum trihydroxide polymorphs, were investigated at periodic ab initio quantum-mechanical level wi...

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