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Theoretical investigations of the structural and chemical properties of hydrazinecarboxamide and hydrazinecarbothioamide

โœ Scribed by Rois Benassi; Ferdinando Taddei; Mario Nardelli


Book ID
119117048
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
941 KB
Volume
164
Category
Article
ISSN
0166-1280

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Theoretical investigations of structural
โœ A. Djedid; S. Mรฉรงabih; O. Abbes; B. Abbar ๐Ÿ“‚ Article ๐Ÿ“… 2009 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 513 KB

We have carried out a first-principles total-energy calculations of the structural and the electronic properties for the series of H-phases compounds Ti 2 AlC and Ti 2 AlN. We have applied the full-potential linearized augmented plane waves (FP-LAPW) method based on the density functional theory (DF