High-pressure thermo-elastic properties of beryl (Al4Be6Si12O36) from ab initio calculations, and observations about the source of thermal expansion

Thermo-chemical and thermo-physical properties of the high-pressure phase anhydrous B (Mg14Si5O24): An ab-initio all-electron investigation

(2010) G. Ottonello et al.   AMERICAN MINERALOGIST

The vibrational spectrum of lizardite-1T [Mg3Si2O5(OH)4] at the   point: A contribution from an ab initio periodic B3LYP calculation

(2009) M. Prencipe et al.   AMERICAN MINERALOGIST

Bonded interactions in silica polymorphs, silicates, and siloxane molecules

(2009) G.V. Gibbs et al.   AMERICAN MINERALOGIST

Ab-initio calculation of elastic constants of crystalline systems with the CRYSTAL code

(2009) W.F. Perger et al.   COMPUTER PHYSICS COMMUNICATIONS

On the performance of eleven DFT functionals in the description of the vibrational properties of aluminosilicates

(2009) Raffaella Demichelis et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Negative thermal expansion: a review

(2009) W. Miller et al.   JOURNAL OF MATERIALS SCIENCE

(An)elastic softening from static grain boundaries and possible effects on seismic wave propagation

(2008) Ekhard K. H. Salje   PHYSICS AND CHEMISTRY OF MINERALS