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An AB initio comparative study of the electronic properties of sulfonamides and amides

✍ Scribed by Jose Elguero; Pilar Goya; Isabel Rozas; Javier Catalán; José Luis G. De Paz


Book ID
119117321
Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
802 KB
Volume
184
Category
Article
ISSN
0166-1280

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The structural, elastic and electronic properties of intermetallic SnAMn 3 compounds with the cubic antiperovskite structure have been investigated, by employing ab initio calculations. The elastic constants and their pressure dependence are calculated using the static finite strain technique. We de