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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 7, No 3 (2016) | Titanium dioxide supported ruthenium nanoparticles for carbon sequestration reaction | Abstract PDF (Eng) similar documents |
| Praveenkumar Ramprakash Upadhyay, Vivek Srivastava | ||
| Vol 5, No 4 (2014) | Rhenium carbides prepared by thermobaric treatment of nanosized precursors | Abstract PDF (Eng) similar documents |
| T. V. Dyachkova, A. P. Tyutyunnik, Yu. G. Zainulin, S. A. Gromilov | ||
| "... rhenium powder and sibunit have been studied. The formation of high-temperature phases with composition Re ..." | ||
| 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 16, No 4 (2025) | Effect of Si and Ti5Si3 on the adhesion at the α-Al2O3/γ-TiAl interface and oxygen diffusion in the alloy | Abstract PDF (Eng) similar documents |
| A. V. Bakulin, L. S. Chumakova, S. E. Kulkova | ||
| 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 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 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 16, No 4 (2025) | Surface electronic structure of TbIr2Si2 antiferromagnet | Abstract PDF (Eng) similar documents |
| D. A. Perminova, I. A. Shvets, D. Yu. Usachov, D. V. Vyalykh, S. V. Eremeev | ||
| "... By means of ab initio density functional theory (DFT) calculations, we examined the surface ..." | ||
| 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 9, No 1 (2018) | Optical properties of defective carbon nanotube (7,7) | Abstract PDF (Eng) similar documents |
| S. A. Sozykin, V. P. Beskachko | ||
| "... using an ab-initio quantum mechanical approach: the pseudo-potential method in the density functional ..." | ||
| Vol 9, No 1 (2018) | High pressure photoluminescence studies of diamond with GeV centers | Abstract PDF (Eng) similar documents |
| S. G. Lyapin, A. A. Razgulov, A. P. Novikov, E. A. Ekimov, M. V. Kondrin | ||
| "... are compared with results of ab-initio DFT calculations, using Quantum ESPRESSO software package. ..." | ||
| 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 - 14 of 14 Items | ||
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