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Nanosystems: Physics, Chemistry, Mathematics

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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 7, No 6 (2016) Silicene is a phantom material Abstract  PDF (Eng)  similar documents
E. F. Sheka
"... tetrels analogues from the viewpoint of the spin molecular theory taking into account the electron ..."
 
Vol 9, No 3 (2018) Possibility of drug delivery due to hydrogen bonds formation in nanodiamonds and doxorubicin: molecular modeling Abstract  PDF (Eng)  similar documents
A. N. Bokarev, I. L. Plastun
"... simulation. Using molecular modeling by the density functional theory method with the B3LYP functional ..."
 
Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) Comparative Raman study of photo-oligomer stability in the donor-acceptor fullerene complex {Pt(dbdtc)2}·C60 and pristine C60 Abstract  PDF (Eng)  similar documents
K. P. Meletov, J. Arvanitidis, D. Christofilos, G. Kourouklis
"... temperature in the molecular donor-acceptor fullerene complex {Pt(dbdtc)2}·C60 (C60 complex with platinum ..."
 
Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) Pressure-assisted photopolymerization in the molecular donor-acceptor fullerene complex {Cd(dedtc)2}2C60 Abstract  PDF (Eng)  similar documents
K. P. Meletov, J. Arvanitidis, D. Christofilos, G. Kourouklis
"... number of sp3-like coordinated carbon atoms per molecular cage. The polymer content increases ..."
 
Vol 16, No 2 (2025) Alcohol dehydrogenase: molecular dynamics study of conformational and orientational behaviour of the enzyme in complex with nad during sorption on the surface of electrode materials using graphite as an example Abstract  PDF (Eng)  similar documents
I. A. Baigunov, Kh. T. Kholmurodov, P. P. Gladyshev
"... In this work, computer molecular dynamics (MD) studies of the orientation and structural ..."
 
Vol 12, No 5 (2021) Modeling the evolution of surface nanobubbles Abstract  PDF (Eng)  similar documents
I. A. Nesterenko, I. Y. Popov
 
Vol 8, No 6 (2017) Calculations of switching field and energy barrier for magnetic islands with perpendicular anisotropy Abstract  PDF (Eng)  similar documents
S. Y. Liashko, H. Jónsson, V. M. Uzdin
 
Vol 12, No 3 (2021) The F-index and coindex of V-Phenylenic Nanotubes and Nanotorus and their molecular complement graphs Abstract  PDF (Eng)  similar documents
M. S.Y. Alsharafi, A. Q. Alameri
"... which often appear in drug molecular graphs. In this paper, we studied the F-index and F-coindex ..."
 
Vol 14, No 6 (2023) Molecular dynamics simulation of the rearrangement of polyampholyte conformations on the surface of a charged oblate metal nanospheroid in a microwave electric field Abstract  PDF (Eng)  similar documents
N. Yu. Kruchinin
"... Using molecular dynamics, the rearrangement of the conformational structure of polyampholytes ..."
 
Vol 14, No 2 (2023) Study of ion partitioning in nanoporous materials by analytical approach and molecular modeling Abstract  PDF (Eng)  similar documents
J. Dweik, M. Koabazb
"... such as Monte Carlo (GCMC) and classical molecular dynamics (MD). These techniques are used to study ..."
 
Vol 14, No 2 (2023) Modeling the rarefied gas thermal conductivity in nanochannels Abstract  PDF (Eng)  similar documents
V. Ya. Rudyak, E. V. Lezhnev
"... was calculated by the method of the stochastic molecular modelling. It was established that the thermal ..."
 
Vol 15, No 1 (2024) Molecular dynamics study of nanofluids viscosity with carbon tubes Abstract  PDF (Eng)  similar documents
V. Ya. Rudyak, S. L. Krasnolutskii, E. V. Lezhnev
"... The purpose of this paper is molecular dynamics simulation of viscosity of benzene-based ..."
 
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
"... In this paper, we consider relaxation processes in molecular systems containing single biomolecule ..."
 
Vol 12, No 5 (2021) Bound states for Laplacian perturbed by varying potential supportedby line in R3 Abstract  PDF (Eng)  similar documents
A. S. Bagmutov
 
Vol 13, No 3 (2022) Assessment of structural changes in proteins and surrounding water molecules in solution according to SAXS and MD data Abstract  PDF (Eng)  similar documents
A. V. Smirnov, A. M. Semenov, Yu. B. Porozov, B. A. Fedorov
"... The SASPAR program for calculation of SAXS of proteins in solution uses trajectories of molecular ..."
 
Vol 11, No 3 (2020) Stochastic molecular modeling the transport coefficients of rarefied gas and gas nanosuspensions Abstract  PDF (Eng)  similar documents
V. Ya. Rudyak, E. V. Lezhnev
"... The subject of this paper is the stochastic molecular modelling of the transport coefficients ..."
 
Vol 9, No 3 (2018) Molecular dynamics simulation of fluid viscosity in nanochannels Abstract  PDF (Eng)  similar documents
V. Rudyak, A. Belkin
"... The viscosity of fluids in a plane nanochannel has been studied by molecular dynamics method ..."
 
Vol 13, No 3 (2022) Ladder operators approach to representation classi cation problem for Jordan-Schwinger image of su(2) algebra Abstract  PDF (Eng)  similar documents
G. V. Tushavin, E. V. Zaitseva, A. I. Trifanov
 
Vol 14, No 2 (2023) Nucleation and collapse of magnetic topological solitons in external magnetic field Abstract  PDF (Eng)  similar documents
M. N. Potkina, I. S. Lobanov, V. M. Uzdin
"... theory for magnetic degrees of freedom. For two-dimensional magnetic skyrmions, the influence ..."
 
Vol 15, No 2 (2024) Nucleation of magnetic skyrmions at a notch Abstract  PDF (Eng)  similar documents
M. N. Potkina, I. S. Lobanov
 
Vol 15, No 2 (2024) Mathematical model of weakly coupled spherical resonator chains under the influence of external magnetic field Abstract  PDF (Eng)  similar documents
A. S. Melikhova, A. I. Popov, I. V. Blinova, I. Y. Popov
"... spheres. The mathematical background of the model is the theory of self-adjoint extensions of symmetric ..."
 
Vol 15, No 4 (2024) Diameter dependent geometrical and electrical properties of zigzag HgSe nanotubes: A density functional study. Abstract  PDF (Eng)  similar documents
M. Das
"... Using density functional theory, evolution of geometrical and electrical properties like wall ..."
 
Vol 13, No 1 (2022) Comments on the Chernoff estimate Abstract  PDF (Eng)  similar documents
V. A. Zagrebnov
 
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 10, No 4 (2019) The prediction of COOH functionalized carbon nanotube application in melphalan drug delivery Abstract  PDF (Eng)  similar documents
Hadi Lari, Ali Morsali, Mohammad Momen Heravi
"... on the surface of functionalized carbon nanotube (NT) have been examined. Quantum molecular descriptors ..."
 
Vol 10, No 4 (2019) Stability of intersite dark solitons in a parametrically driven discrete nonlinear Schrodinger equation¨ Abstract  PDF (Eng)  similar documents
O. P. Swami, V. Kumar, B. Suthar, A. K. Nagar
"... will be derived using perturbation theory, with accompanying numerical results. ..."
 
Vol 16, No 3 (2025) Optimality of linear vacancy defect for skyrmion nucleation Abstract  PDF (Eng)  similar documents
M. N. Potkina, I. S. Lobanov
 
Vol 8, No 5 (2017) Thermal stability of magnetic states in submicron magnetic islands Abstract  PDF (Eng)  similar documents
S. Y. Liashko, I. S. Lobanov, V. M. Uzdin, H. J´onsson
"... the harmonic approximation to transition state theory. Stable magnetic states, minimum energy paths between ..."
 
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
 
Vol 8, No 2 (2017) Quasi-semidefinite eigenvalue problem and applications Abstract  PDF (Eng)  similar documents
L. Grubisic, J. Tambaca
 
Vol 8, No 2 (2017) Zigzag chain model and its spectrum Abstract  PDF (Eng)  similar documents
A. S. Melikhova
"... with a constant intensity. The model is based on the theory of self-adjoint extensions of symmetrical operators ..."
 
Vol 15, No 3 (2024) Stability and transformations of domain walls in cylindrical wires Abstract  PDF (Eng)  similar documents
K. A. Chichay, I. S. Lobanov, V. M. Uzdin
 
Vol 15, No 5 (2024) Magnesium based tin-silicon alloys under pressure: first-principles evolution search results Abstract  PDF (Eng)  similar documents
Yuri V. Luniakov
"... the evolution algorithm combined with the density functional theory (DFT) approach. The evolutionary search has ..."
 
Vol 15, No 4 (2024) olloidal chemical properties of the sol V2O5 · nH2O. Abstract  PDF (Eng)  similar documents
H. Lwin, O. V. Yarovaya
"... according to the DLVO theory. ..."
 
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