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Nanosystems: Physics, Chemistry, Mathematics

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Vol 5, No 4 (2014) Ab-initio study of Re and Ru effect on stability of TCP nanoparticles in Ni-based superalloys Abstract  PDF (Eng)  similar documents
N. I. Medvedeva, A. L. Ivanovskii
"... . In this paper, by using an ab-initio approach, we studied the effect of rhenium and ruthenium on the structural ..."
 
Vol 5, No 4 (2014) Electronic structure and stabilization of C60 fullerene encapsulating actinide atom Abstract  PDF (Eng)  similar documents
M. V. Ryzhkov, A. L. Ivanovskii, B. Delley
"... the DFT based Dmol3 method. In order to perform calculations for these complexes’ electronic structures ..."
 
Vol 5, No 4 (2014) Chlorgraphynes: formation path, structure and electronic properties Abstract  PDF (Eng)  similar documents
A. L. Ivanovskii, A. N. Enyashin
"... ) with variable Cl/C stoichiometry may be expected. Here, employing DFT band structure calculations, a series ..."
 
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