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The description of Al, Si ordering in aluminosilicates using the cluster variation method
cluster variatio nmethod Al Si cluster variation method
2012/3/30
Theclustervariationmethod(CVM)fordeterminingthethermodynamicsofbothshort-
rangeandlong-rangeorderinthisstudywasextendedtocomplexaluminosilicateminerals.
Usingrecentlydevelopedalgorithmsforthemaximiz...
Molecular cluster models of aluminum oxide and aluminum hydroxide surfaces
Molecular cluster models aluminum oxide aluminum hydroxide surfaces
2012/4/1
Ab initio, molecular orbital calculations for two different Hartree-Fock basis levels were performed on clusters in the system Al-O-H, and tested by comparing derived vibrational frequencies to the me...