Title of article
Quantum-mechanical modeling of minerals at high pressures. The role of the Hamiltonian in a case study: the beryl (Al4Be6Si12O36)
Author/Authors
Mauro Prencipe، نويسنده , , Fabrizio Nestola، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2005
Pages
9
From page
471
To page
479
Keywords
Beryl - Quantum-mechanical calculation - Hartree–Fock - Density functional - B3LYP - High pressure
Journal title
Physics and Chemistry of Minerals
Serial Year
2005
Journal title
Physics and Chemistry of Minerals
Record number
336743
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