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| Issue | Title | |
| 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 16, No 2 (2025) | Elastic and thermal properties of some ternary β-Ti based alloys | Abstract PDF (Eng) similar documents |
| S. O. Kasparyan, A. E. Ordabaev, A. V. Bakulin, S. E. Kulkova | ||
| 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 | ||
| Vol 11, No 5 (2020) | Stability and electronic properties of ZnSe nanowires: An ab initio approach | Abstract PDF (Eng) similar documents |
| Sanjay Prakash Kaushik, Satyendra Singh, Ram-Krishna Thakur | ||
| Vol 11, No 6 (2020) | Dependence of the electronic and crystal structure of a functionalized graphene on the concentration of chemically adsorbed fluorine | Abstract PDF (Eng) similar documents |
| M. E. Belenkov, V. M. Chernov | ||
| "... on the fluorine concentration. Ab initio calculations were performed using the density functional theory method ..." | ||
| Vol 12, No 6 (2021) | Ab initio calculations of layered compounds consisting of sp3 or sp+sp2 hybridized carbon atoms | Abstract PDF (Eng) similar documents |
| E. A. Belenkov, V. A. Greshnyakov, V. V. Mavrinskii | ||
| Vol 6, No 6 (2015) | Quasi free-standing one-dimensional nanocrystals of PbTe grown in 1.4 nm SWNTs | Abstract PDF (Eng) similar documents |
| A. V. Lukashin, N. S. Falaleev, N. I. Verbitskiy, A. A. Volykhov, I. I. Verbitskiy, L. V. Yashna, A. S. Kumskov, N. A. Kiselev, A. A. Eliseev | ||
| "... . Experimental data are supported by ab-initio calculations, showing non-zero density of states at the Fermi ..." | ||
| Vol 7, No 6 (2016) | Minimum energy path calculations with Gaussian process regression | Abstract PDF (Eng) similar documents |
| O-P. Koistinen, E. Maras, H. Jonsson | ||
| "... . An important challenge is to reduce the computational effort in such calculations, especially when ab initio ..." | ||
| 1 - 8 of 8 Items | ||
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