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Thermal properties of sodium metasilicate hydrates

โœ Scribed by Robert O. Gould; Barrie M. Lowe; Neil A. Macgilp


Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
346 KB
Volume
14
Category
Article
ISSN
0040-6031

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Structural and electronic properties of
โœ Feng Liu; S.H. Garofalini; R.D. King-Smith; David Vanderbilt ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 440 KB

The structure of sodium metasilicate has been determined for the first time based on a first-principles calculation. The total energy expressed in the local-density approximation is minimized using a preconditioned conjugate gradient algorithm. The Vanderbilt ultrasofi pseudopotential scheme is adop