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
Review submitted for publication
Physico-chemical features of aluminium hydroxides as modelled with hybrid B3LYP functional and localized basis functionsRaffaella Demichelis, Yves Noël, Piero Ugliengo, Claudio M. Zicovich-Wilson, and Roberto Dovesi Review submitted for publication | |||
| Tri-hydroxides: | |||
| Bayerite | |
Gibbsite | |
| Doyleite | |
Nordstrandite | |
| Mono-hydroxides: | |||
| Diaspore | |
Boehmite | |
| Akdalaite: | |||
| Akdalaite | | ||