## Abstract The benefit of massively parallel supercomputers for technologically relevant applications in the field of materials science is demonstrated at the example of first‐principles total energy calculations of magnetic binary transition metal nanoparticles containing up to 1415 3d and 5d tra
Ordering in 3d–5d (CuAu) and segregation in 3d–4d (CuAg) systems
✍ Scribed by Durga Paudyal; Abhijit Mookerjee
- Book ID
- 103883917
- Publisher
- Elsevier Science
- Year
- 2005
- Tongue
- English
- Weight
- 262 KB
- Volume
- 366
- Category
- Article
- ISSN
- 0921-4526
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## Abstract Three cyanido‐bridged Fe^III^–Mn^II^ dimers, [Fe(pzcq)(CN)~3~][Mn(phen)~2~(X)]·MeOH [X = Cl (1), Br (2); pzcq = 8‐(pyrazine‐2‐carboxamido)quinoline anion, phen = 1,10‐phenanthroline], [Fe(mpzcq)(CN)~3~][Mn(phen)~2~(Cl)]·MeOH [3; mpzcq = 8‐(5‐methylpyrazine‐2‐carboxamido)quinoline anion]