Physico-chemical features of aluminium hydroxides as modelled with hybrid B3LYP functional and localized basis functions


Raffaella Demichelis, Yves Noël, Piero Ugliengo, Claudio M. Zicovich-Wilson, and Roberto Dovesi

J. Phys. Chem. C, 2011, 115 (27), pp 1310713134
Tri-hydroxides:
Bayerite Gibbsite
Doyleite Nordstrandite
Mono-hydroxides:
Diaspore Boehmite
Akdalaite:
Akdalaite

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