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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 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 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 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 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) Quantum-chemical study of carbon nanotubes interaction with contaminants of petroleum, oil and lubricants Abstract  PDF (Eng)  similar documents
I. Arkharova, I. Zaporotskova
"... The article presents the results from the study of carbon nanotube (CNT) interaction with the main ..."
 
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 ..."
 
Vol 10, No 4 (2019) Thermodynamics of H–T phase transition in MoS2 single layer Abstract  PDF (Eng)  similar documents
I. S. Popov, A. N. Enyashin
"... widely, depending upon polymorphic composition. Here, using the density-functional theory calculations ..."
 
Vol 6, No 4 (2015) Structural hierarchy of NH4V3O7 particles prepared under hydrothermal conditions Abstract  PDF (Eng)  similar documents
G. S. Zakharova, Y. Liu, I. S. Popov, A. N. Enyashin
"... calculations were carried out to refine the structure at an atomistic level and to predict electronic ..."
 
Vol 14, No 6 (2023) Surface topology, electrophysical properties and formation mechanism of tin(ii) sulfide thin films Abstract  PDF (Eng)  similar documents
N. S. Kozhevnikova, L. N. Maskaeva, A. N. Enyashin, A. P. Tyutyunnik, O. A. Lipina, I. O. Selyanin, V. F. Markov
 
Vol 11, No 4 (2020) Supercritical fluid synthesis and possible properties of “cubic graphite” Abstract  PDF (Eng)  similar documents
A. V. Pokropivny, A. N. Enyashin, A. S. Smolyar, V. A. Kuts, V. G. Gurin, S. A. Antipov, P. M. Silenko, Yu. M. Solonin
"... -functional theory calculations, the observed carbon phase is proved to be cubic with a lattice parameter ..."
 
Vol 5, No 4 (2014) Boron-doped anatase: electronic band structure, boron atom locations and magnetic state Abstract  PDF (Eng)  similar documents
V. P. Zhukov
"... The first-principle spin-resolved GGA and GGA+U calculations for the electronic band structure ..."
 
Vol 5, No 5 (2014) Nanoscale reduced-graphene-oxide origin of shungite in light of neutron scattering Abstract  PDF (Eng)  similar documents
E. F. Sheka, N. N. Rozhkova, K. Hołderna-Natkaniec, I. Natkaniec
"... calculations that allowed suggesting a clear vision of the shungite structure at its first fractal levels. ..."
 
Vol 15, No 3 (2024) The role of pH of the reaction medium in the formation of nanocrystalline phases in the Bi2O3-P2O5-H2O system Abstract  PDF (Eng)  similar documents
D. P. Elovikov, A. A. Osminina
"... the method of thermodynamic calculation, the dependences of the equilibrium molar solubility ..."
 
Vol 12, No 2 (2021) Study of stability of luminescence intensity of β-NaGdF4:Yb:Er nanoparticle colloids in aqueous solution Abstract  PDF (Eng)  similar documents
I. D. Kormshchikov, V. V. Voronov, S. A. Burikov, T. А. Dolenko, S. V. Kuznetsov
"... Hexagonal modification e—NaGdF4:Yb:Er with a particle size of 24 nm was synthesized by the ..."
 
Vol 7, No 2 (2016): Special Issue Temperature dependence of the optical fiber cable parameters in subcarrier wave quantum communication systems Abstract  PDF (Eng)  similar documents
V. D. Dubrovskaia, S. A. Chivilikhin
"... necessary to evaluate the transformation of the signal parameters during propagation and their influence on ..."
 
Vol 12, No 2 (2021) Non-compact perturbations of the spectrum of multipliers given with functions Abstract  PDF (Eng)  similar documents
R. R. Kucharov, R. R. Khamraeva
"... The change in the spectrum of the multipliers H0 f (x, y) = xa + ye f (x, y) and H0f (x, y) = xaye ..."
 
Vol 5, No 6 (2014) Effect of the elimination of the barrier layer period in productive process and its simulation of absorption spectra for anodic alumina membrane Abstract  PDF (Eng)  similar documents
M. R. Mohebbifar, M. Ahmadi Daryakenari, G. Mosallanezhad, M. Zohrabi
"...    An anodic alumina membrane is produced in two levels by performing the anodization process in ..."
 
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