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| Issue | Title | |
| Vol 10, No 4 (2019) | On a possibility to develop a full-potential orbital-free modeling approach | Abstract PDF (Eng) similar documents |
| V. G. Zavodinsky, O. A. Gorkusha | ||
| "... , than the results received by means of full-electrons calculations by the Kohn–Sham method. ..." | ||
| Vol 8, No 5 (2017) | Energetics of carbon nanotubes with open edges: Modeling and experiment | Abstract PDF (Eng) similar documents |
| V. G. Zavodinsky, O. A. Gorkusha, A. P. Kuz’menko | ||
| "... Modeling approaches based on the density functional theory (DFT): the Kohn–Sham (KS) method ..." | ||
| Vol 4, No 2 (2013) | Persistent current oscillations in electron-hole quantum dots | Abstract PDF (Eng) similar documents |
| A. A. Vasilchenko, D. M. Tolkachev | ||
| "... A system of Kohn-Sham equations was solved self-consistently for the two-dimensional, spatially ..." | ||
| Vol 7, No 6 (2016) | Development of the orbital-free approach for hetero-atomic systems | Abstract PDF (Eng) similar documents |
| V. G. Zavodinsky, O. A. Gorkusha | ||
| "... The key problem of the orbital-free approach is calculation of kinetic energy, especially ..." | ||
| Vol 7, No 3 (2016) | Asymmetric molecular diode energy calculation using Extended Hückel and Parametric method | Abstract PDF (Eng) similar documents |
| A. Mallaiah, G. N. Swamy, K. Padmapriya | ||
| "... of frontier orbitals, the highest occupied molecular orbitals, lowest unoccupied molecular (HOMO-LUMO ..." | ||
| Vol 7, No 3 (2016) | Development of an orbital-free approach for simulation of multi-atomic nanosystems with covalent bonds | Abstract PDF (Eng) similar documents |
| V. G. Zavodinsky, O. A. Gorkusha | ||
| "... On the example of the three-atomic clusters Al3, Si3, and C3, it is shown that an orbital-free ..." | ||
| Vol 8, No 5 (2017) | Modeling chemisorption of carbon dimer at (8, 0) nanotube | Abstract PDF (Eng) similar documents |
| S. S. Moliver | ||
| "... The electron structures of two forms of the grafted carbon dimer for the (8, 0) zigzag nanotube ..." | ||
| Vol 9, No 1 (2018) | Stability at high temperature and decomposition kinetics of the fullerene dimers and photopolymers | Abstract PDF (Eng) similar documents |
| K. P. Meletov, J. Arvanitidis, D. Christofilos, G. Kourouklis, V. A. Davydov | ||
| "... The decomposition kinetics of the fullerene dimers and photo-oligomers was studied at elevated ..." | ||
| Vol 13, No 6 (2022) | Multi-order and structural mechanism of atom nanocluster formation in rhombohedral Cu-Zr-thiospinels | Abstract PDF (Eng) similar documents |
| V. M. Talanov, M. V. Talanov | ||
| "... of a rhombohedral phase is associated not only with the lattice, but also with the charge and, possibly, orbital ..." | ||
| Vol 4, No 2 (2013) | Effect of anchoring atoms on transport properties of a carbon-dimer based molecular junction: a first principles study | Abstract PDF (Eng) similar documents |
| R. M. Hariharan, D. John Thiruvadigal | ||
| "... the molecular conductance of carbon dimer connected between Au leads through two different anchoring atoms Se ..." | ||
| Vol 6, No 2 (2015) | Uncertainty relation between angle and orbital angular momentum: interference effect in electron vortex beams | Abstract PDF (Eng) similar documents |
| Sh. Tanimura | ||
| "... The uncertainty relation between angle and orbital angular momentum had not been formulated ..." | ||
| Vol 6, No 5 (2015) | Numerical solution of Schrodinger equation for biphoton ¨ wave function in twisted waveguide arrays | Abstract PDF (Eng) similar documents |
| D. N. Vavulin, A. A. Sukhorukov | ||
| "... We consider the generation of entangled biphoton states with orbital-angular-momentum ..." | ||
| Vol 8, No 4 (2017) | Calculations of the onset temperature for tunneling in multispin systems | Abstract PDF (Eng) similar documents |
| S. M. Vlasov, P. F. Bessarab, V. M. Uzdin, H. J´onsson | ||
| "... the over-the-barrier mechanism. An application to a monomer and a dimer of molecular magnets containing ..." | ||
| Vol 14, No 1 (2023) | Synthesis and thermal behavior of KCe2(PO4)3, a new full-member in the AIMIV2 (PO4)3 family | Abstract PDF (Eng) similar documents |
| T. O. Kozlova, D. N. Vasilyeva, D. A. Kozlov, M. A. Teplonogova, A. E. Baranchikov, N. P. Simonenko, V. K. Ivanov | ||
| Vol 5, No 6 (2014) | Navigation on the energy surface of the noncollinear Alexander-Anderson model | Abstract PDF (Eng) similar documents |
| P. F. Bessarab, A. Skorodumov, V. M. Uzdin, H. J´onsson | ||
| "... STM tip with a Cr dimer on a surface is briefly described. A finite range approximation is also ..." | ||
| Vol 7, No 4 (2016) | Optically tuned poly (3-hexylthiophene-2,5-diyl) P3HT/PCBM (modified fullerene) blend for plastic solar cell | Abstract PDF (Eng) similar documents |
| Ishwar Naik, Rajashekhar Bhajantri, Lohit Naik, B. S. Patil, Ullas Shetti Pragasam, Sunil Rathod, Jagadeesh Naik | ||
| "... (band gap) between Highest Occupied Molecular Orbital (HOMO) and the Lowest Un-occupied Molecular ..." | ||
| Vol 9, No 1 (2018) | Influence of admixture atom chemosorption on properties of p-electron conjugated system of open carbon nanotubes | Abstract PDF (Eng) similar documents |
| O. B. Tomilin, E. V. Rodionova, E. A. Rodin, E. E. Muryumin | ||
| "... Basing on the hypothesis of the emission molecular orbitals (EMO) existence in single-walled ..." | ||
| Vol 7, No 4 (2016) | Study of Faraday effect on Co1-xZnxFe2O4 nanoferrofluids | Abstract PDF (Eng) similar documents |
| R. Karthick, K. Ramachandran, r Srinivasan | ||
| "... by chemical co-precipitation method. The crystallite size, which was calculated from the full width half ..." | ||
| Vol 3, No 3 (2012) | Symmetrized combinations of s-, p-, d-, f-spinors for study of electronic structure of physical systems | Abstract similar documents |
| V. P. Smirnov | ||
| "... Usually, atom-like functions of s-, p- and d-type (linear combinations of atom-like orbitals ..." | ||
| 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 | ||
| "... and “networked” complexes. The 5f-orbitals’ contribution to chemical bonding was found to be noticeably less than ..." | ||
| Vol 9, No 2 (2018) | Cyclic-periodic ZRP structures. Scattering problem for generalized Bloch functions and conductivity | Abstract PDF (Eng) similar documents |
| S. Leble | ||
| "... orbital quantum number whose construction is presented via Darboux dressing chain built in a space ..." | ||
| Vol 14, No 2 (2023) | Symmetry-based prediction of the type-II multiferroics with pyrochlore structure | Abstract PDF (Eng) similar documents |
| V. M. Talanov, M. V. Talanov, V. B. Shirokov | ||
| "... improper ferroic orders including orbital, ferroelastic, ferroelastoelectric, ferrobielastic, optical ..." | ||
| Vol 15, No 5 (2024) | Ionic channel structure in perfluorinated membranes studied by small angle X-ray scattering, optical and Mossbauer spectroscopy | Abstract PDF (Eng) similar documents |
| Vasily T. Lebedev, Valery S. Kozlov, Mikhail V. Remizov, Yury V. Kulvelis, Oleg N. Primachenko, Elena A. Marinenko, Georgy S. Peters | ||
| "... into antiferromagnetic dimers with water shells and associated with sulfonic groups at the channel surfaces. The applied ..." | ||
| Vol 8, No 6 (2017) | Stable Ti9O10 nanophase grown from nonstoichiometric titanium monoxide TiOy nanopowder | Abstract PDF (Eng) similar documents |
| A. A. Valeeva, M. G. Kostenko | ||
| "... 1 structure and (b) by orthorhombic distortions. The DFT calculations of the full energy ..." | ||
| Vol 12, No 6 (2021) | Dispersibility of freeze-drying unmodified and modified TEMPO-oxidized cellulose nanofibrils in organic solvents | Abstract PDF (Eng) similar documents |
| A. A. Luginina, S. V. Kuznetsov, V. K. Ivanov, V. V. Voronov, A. D. Yapryntsev, D. I. Petukhov, S. Yu. Kottsov, E. V. Chernova, P. P. Fedorov | ||
| "... to functionalize the TOCNF surface in aqueous media: alkyl ketene dimer (AKD) and 3-aminopropyltriethoxysilane (APS ..." | ||
| Vol 6, No 1 (2015) | Tunneling in multidimensional wells | Abstract PDF (Eng) similar documents |
| T. F. Pankratova | ||
| "... A full asymptotic series for low eigenvalues and eigenfunctions of a stationary Schr¨odinger ..." | ||
| Vol 5, No 3 (2014) | Channels of electron-electron interactions in highly doped heterojunction | Abstract PDF (Eng) similar documents |
| V. A. Ambartsumyan, E. A. Andryushchenko, K. V. Bukhenskyy, A. B. Dubois, E. A. Dvoretskova, T. V. Gordova, N. I. Ivanova, S. I. Kucheryavyy, S. N. Mashnina, A. S. Safoshkin | ||
| "... -electron interaction, matrix elements of the full screening potential and dynamic dielectric function ..." | ||
| Vol 4, No 6 (2013) | Study of dynamics of microstructural transformations in crystalline yttria nanopowder | Abstract PDF (Eng) similar documents |
| R. P. Ermakov, P. P. Fedorov, V. V. Voronov | ||
| "... (isothermal annealing) with the use of X-ray diffraction analysis (full profile analysis of reflections, etc.). ..." | ||
| Vol 10, No 4 (2019) | On formal asymptotic expansion of resonance for quantum waveguide with perforated semitransparent barrier | Abstract PDF (Eng) similar documents |
| A. M. Vorobiev, A. S. Bagmutov, A. I. Popov | ||
| "... ) of the resonances (quasi-bound states) is obtained. The procedure of construction of full formal asymptotic ..." | ||
| Vol 13, No 4 (2022) | Continuous-variable quantum key distribution: security analysis with trusted hardware noise against general attacks | Abstract PDF (Eng) similar documents |
| R. K. Goncharov, A. D. Kiselev, E. O. Samsonov, V. I. Egorov | ||
| "... In this paper, using the full security framework for continuous-variable quantum key distribution ..." | ||
| Vol 8, No 5 (2017) | Truncated minimum energy path method for finding first order saddle points | Abstract PDF (Eng) similar documents |
| I. S. Lobanov, M. N. Potkina, H. H. J´onsson, V. M. Uzdin | ||
| "... is then reduced significantly as compared with a calculation of the full minimum energy path by focusing ..." | ||
| Vol 4, No 4 (2013): Special Issue. INTERNATIONAL CONFERENCE "MATHEMATICAL CHALLENGE OF QUANTUM TRANSPORT IN NANOSYSTEMS - 2013. PIERRE DUCLOS WORKSHOP" | On spectral gaps in graphene in a weak constant magnetic field | Abstract PDF (Eng) similar documents |
| M. Н. Brynildsen, H. D. Cornean | ||
| "... a weak, but non-zero, external magnetic field. Full proofs will be given elsewhere. ..." | ||
| Vol 12, No 5 (2021) | Energy relaxation in molecular systems containing salt ions | Abstract PDF (Eng) similar documents |
| M. A. Baranov, E. N. Velichko, E. K. Nepomnyashchaya, I. V. Pleshakov | ||
| "... influence of ionizing impurities on the full energy of the system and on the energy relaxation time ..." | ||
| Vol 8, No 3 (2017) | Cryometry data and excess thermodynamic functions in the binary system: water soluble bis-adduct of light fullerene C70 with lysine. Assymmetrical thermodynamic model of virtual gibbs energy decomposition – VD-AS | Abstract PDF (Eng) similar documents |
| N. A. Charykov, K. N. Semenov, V. V. Keskinov, P. V. Garamova, D. P. Tyurin, I. V. Semenyuk, V. V. Petrenko, A. V. Kurilenko, M. Yu. Matuzenko, N. A. Kulenova, A. A. Zolotarev, D. G. Letenko | ||
| "... calculated. Excess and full average Gibbs energies for the solutions and miscibility gaps concentration ..." | ||
| Vol 14, No 1 (2023) | Influence of high energy milling on titanium oxide Ti3O5 crystal structure | Abstract PDF (Eng) similar documents |
| A. A. Valeeva, I. B. Dorosheva, A. A. Sushnikova | ||
| "... by using high-energy ball milling for 15 – 480 minutes. A full-profile analysis of the X-ray diffraction ..." | ||
| Vol 11, No 1 (2020) | Fabrication of CeO2 nanoparticles embedded in polysaccharide hydrogel and their application in skin wound healing | Abstract PDF (Eng) similar documents |
| N. R. Popova, V. V. Andreeva, N. V. Khohlov, A. L. Popov, V. K. Ivanov | ||
| "... of planar full thickness and linear skin wounds in rats was shown. Basing on wound surface area measurements ..." | ||
| Vol 16, No 3 (2025) | Magnetic structure of domain walls in stressed cylindrical wires | Abstract PDF (Eng) similar documents |
| K. A. Chichay, I. S. Lobanov, V. M. Uzdin | ||
| "... %. These results demonstrate that incorporating the full stress tensor is essential for accurate prediction of both ..." | ||
| 1 - 37 of 37 Items | ||
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