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On the systolic calculation of all-pairs interactions using transputer arrays

✍ Scribed by Filippo Brugé; Sandro L Fornili

Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
339 KB
Volume
96
Category
Article
ISSN
0021-9991

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## Abstract Atom pair potentials are obtained from __ab initio__ SCF‐LCAO‐MO calculations for model complexes of Mg^2+^ and Ca^2+^ with __N__, __N__‐dimethylacetamide, and malonamide. The SCF‐LCAO‐MO interaction energies for 271 complexes of Mg^2+^ and 271 complexes of Ca^2+^ with these amides were