Magnetic properties of the AnFe2 compounds (An = U, Np, Pu, and Am)
β Scribed by G.H. Lander; A.T. Aldred; B.D. Dunlap; G.K. Shenoy
- Publisher
- Elsevier Science
- Year
- 1977
- Weight
- 167 KB
- Volume
- 86-88
- Category
- Article
- ISSN
- 0378-4363
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The subject of this article, the application of density functional ## Ε½ . theory DFT to molecular systems containing actinide elements, is discussed in two parts. In the first part, a survey is given of DFT applications on actinidecontaining molecules. Various methodological developments are revi
## Abstract We have compared the performance of widely used hybrid functionals for calculating the bond lengths and harmonic vibrational frequencies of AnF~6~ (An=U, Np, and Pu) and UF~6β__n__~Cl~__n__~ (__n__=1β6) molecules using βsmallβcoreβ relativistic effective core potentials and extended bas