Order results by:
| Issue | Title | |
| 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 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 2, No 2 (2011) | Molecular dynamics investigation of deformation response of thin-film metallic nanostructures under heating | Abstract PDF (Eng) similar documents |
| I. S. Konovalenko, K. P. Zolnikov, S. G. Psakhie | ||
| "... Molecular dynamics simulation of nanostructure behavior under impulse heating is carried out ..." | ||
| Vol 6, No 4 (2015) | Exact classical stochastic representations of the many-body quantum dynamics | Abstract PDF (Eng) similar documents |
| E. A. Polyakov, P. N. Vorontsov-Velyaminov | ||
| "... In this work we investigate the exact classical stochastic representations of many-body quantum ..." | ||
| 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 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 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 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) | TEM study of structure of graphene layers in shungite carbon | Abstract PDF (Eng) similar documents |
| V. V. Kovalevski, I. A. Moshnikov | ||
| Vol 9, No 6 (2018) | Scattering on a chain of zero-range potentials with internal structure in the stochastic magnetic field | Abstract PDF (Eng) similar documents |
| A. E. Ryzhkov | ||
| "... in the stochastic magnetic field is investigated. Model operator is constructed using the perturbation theory ..." | ||
| Vol 5, No 6 (2014) | Hydrogen adsorption properties of metal-organic frameworks within the density-functional based tight-binding approach | Abstract PDF (Eng) similar documents |
| Bassem Assfour, Thaer Assaad, Adnan Odeh | ||
| "... using molecular dynamics (MD) simulation. MD simulations were performed within the density functional ..." | ||
| 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 | ||
| "... a mathematical and computer model of the nanobubble and performed a series of simulations to see how ..." | ||
| 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 | ||
| "... membrane has its empty pores filled with gold, simulations were done in order investigate its absorption ..." | ||
| Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) | Diffraction-based characterization of amorphous sp2 carbon: sensitivity to domain-like packing of nanostructures | Abstract PDF (Eng) similar documents |
| V. S. Neverov, P. A. Borisova, A. B. Kukushkin, V. V. Voloshinov | ||
| "... by vacuum annealing. To diagnose heterogeneous media, the method uses the rigid body molecular dynamics ..." | ||
| Vol 15, No 5 (2024) | Skyrmionium – semicircular magnetic defect interaction on a racetrack | Abstract PDF (Eng) similar documents |
| S. Navarro-Vilca, S. Urcia-Romero, H. Vigo-Cotrina | ||
| "... types of nanostructures. In this research, we use micromagnetic simulations to study the dynamics ..." | ||
| Vol 2, No 3 (2011) | Nonlinear dynamic variations in internal structure of a complex lattice | Abstract PDF (Eng) similar documents |
| A. V. Porubov, B. R. Andrievsky | ||
| "... structure of the lattice due to an influence of a dynamic loading. Numerical simulations are performed ..." | ||
| Vol 5, No 5 (2014) | Regularities of light diffusion in the composite material pentaerythriol tetranirate - nickel | Abstract PDF (Eng) similar documents |
| A. A. Zvekov, M. V. Ananyeva, A. V. Kalenskii, A. P. Nikitin | ||
| Vol 2, No 2 (2011) | Simulation of structural transformations in copper nanoparticles under collision | Abstract PDF (Eng) similar documents |
| A. Yu. Smolin, N. V. Roman, K. P. Zolnikov, S. G. Psakhie, V. K. Kedrinskii | ||
| "... performed by molecular dynamics method. The inter-atomic interaction was described within the embedded atom ..." | ||
| Vol 2, No 2 (2011) | Molecular-dynamic investigation of contact interaction of pure metals | Abstract PDF (Eng) similar documents |
| A. Yu. Nikonov, A. I. Dmitriev, S. G. Psakhie | ||
| "... In using the method of molecular dynamics simulation of contact interaction between the copper ..." | ||
| Vol 2, No 3 (2011) | The features of structure transformation caused by nano-burnishing process | Abstract PDF (Eng) similar documents |
| A. I. Dmitriev, A. Yu. Nikonov, V. P. Kuznetsov | ||
| "... In the paper the method of molecular dynamics is used to investigate the features of structure ..." | ||
| Vol 6, No 5 (2015) | Prediction of glass forming ability in CuxZr1−x alloys using molecular dynamics | Abstract PDF (Eng) similar documents |
| M. M. Khandpekar, A. Shrivastava, D. S. Gowtam, M. Mohape, V. P. Deshmukh | ||
| "... melting route. Molecular dynamics (MD) simulations have been carried out using the embedded atom method ..." | ||
| Vol 3, No 2 (2012) | Quasi-fractals: New possibilities in describing of the self-similar clusters | Abstract similar documents |
| A. P. Alekhin | ||
| 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 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 4, No 5 (2013) | Accurate energy conservation in molecular dynamics simulation | Abstract PDF (Eng) similar documents |
| O. A. Zolotov, V. E. Zalizniak | ||
| "... molecular dynamics simulation is also presented. Numerical experiments illustrating these approaches ..." | ||
| 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 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 10, No 1 (2019) | Effect of nitrogen impurities on ZnS polymorphism | Abstract PDF (Eng) similar documents |
| I. S. Popov, A. S. Vorokh, A. N. Enyashin | ||
| Vol 4, No 3 (2013) | Dielectric Waveguide Optimization for the Enhancement of TE-Polarization Transmission of Plasmonics-Based MSM-PD | Abstract PDF (Eng) similar documents |
| Ayman Karar, Chee Leong Tan, Kamal Alameh, Yong Tak Lee | ||
| "... waveguide on top of metal nano-gratings. Simulation results demonstrate that the funneling transmission ..." | ||
| Vol 9, No 4 (2018) | Capillary filling of carbon nanotubes by BiCl3: TEM and MD insight | Abstract PDF (Eng) similar documents |
| E. A. Anumol, F. L. Deepak, A. N. Enyashin | ||
| "... Among numerous trichlorides, the melt of BiCl3 is a distinctly molecular liquid with a relatively ..." | ||
| 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 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 4, No 5 (2013) | Miscibility studies of PC/PMMA blends in Tetrahydrofuran by Viscometry, FTIR and SEM analysis | Abstract PDF (Eng) similar documents |
| Ashok kumar Gupta, kumar sah Gautam | ||
| "... and Sun et al. to identify the molecular interaction arising in solutions of the mentioned polymer blends ..." | ||
| 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 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 2, No 4 (2011) | Simulation of flows in nanochannels by the molecular dynamics method | Abstract similar documents |
| V. Ya. Rudyak, A. A. Belkin, V. V. Egorov, D. A. Ivanov | ||
| "... On the basis of molecular dynamics method the algorithm for the first time enables to simulate ..." | ||
| Vol 5, No 1 (2014) | Topological mechanochemistry of graphene | Abstract PDF (Eng) similar documents |
| E. F. Sheka, V. A. Popova, N. A. Popova | ||
| "... in the course of the mechanochemical reaction. Basing on the molecular theory of graphene, the effects ..." | ||
| Vol 4, No 2 (2013) | Miscibility studies of PVC/PMMA blends in Tetrahydrofuran by viscosity, density, refractive index and ultrasonic velocity method | Abstract PDF (Eng) similar documents |
| Gautam Kumar Sah, Ashok Kumar Gupta | ||
| "... parameters μ and α proposed by Chee and Sun et al. to identify the molecular interaction arising ..." | ||
| Vol 6, No 4 (2015) | Boundary effect on multiple scattering of elastic waves in a half-space | Abstract PDF (Eng) similar documents |
| A. Yu. Val’kov, V. L. Kuzmin, V. P. Romanov, M. A. Nikitina, V. Meglinskii | ||
| "... for studying layered media. Monte-Carlo simulations of elastic wave scattering from random inhomogeneities ..." | ||
| Vol 4, No 3 (2013) | Silver-Nanoparticle-Based Etch Mask Control for Subwavelength Structure Development | Abstract PDF (Eng) similar documents |
| Nazme Moushumy, K. Alameh, V. Rajendran, Yong Tak Lee | ||
| "... (FDTD) software package. Simulation results show that substantial reduction in light reflection can ..." | ||
| 1 - 44 of 44 Items | ||
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