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Investigation of the Adsorption and Diffusion of Hydrogen in Iron Clusters by the Method of Density Functional

✍ Scribed by Pokhmurs’kyi, V. І.; Kornii, S. A.; Kosarevych, B. P.

Book ID
125365545
Publisher
Springer
Year
2014
Tongue
English
Weight
780 KB
Volume
49
Category
Article
ISSN
1573-885X

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The density functional due to Kixzhnits is used to calculate values of the equilibrium lattice parameters (a) and of the atomization energy (D) for alkali metals clusters M n (bee and fee structured Li clusters artd bee structured Na clusters), containing 9 to 100 atoms. The calculated values of a a