Order results by:
| Issue | Title | |
| 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 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 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 | ||
| "... , Parametric and non-equilibrium Green’s function (NEGF) formalisms. The conductance of the device falls ..." | ||
| Vol 3, No 1 (2012) | Universal interatomic potential for pure metals | Abstract similar documents |
| V. E. Zalizniak, O. A. Zolotov | ||
| "... A new interatomic potential for metals based on the embedded atom method is proposed in this paper ..." | ||
| 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 | ||
| "... atom inside the C60 cage were obtained. The most stable non-central positions are favored over ..." | ||
| Vol 6, No 5 (2015) | Encapsulation of iron atoms between framgments of graphene planes | Abstract PDF (Eng) similar documents |
| A. V. Siklitskaya, V. I. Ivanov-Omskii, M. S. Chekulaev, S. G. Yastrebov, R. Smith, A. Slav, C. Morosanu, S. V. Kozyrev | ||
| "... and a layer of iron atoms. Such clusters may be candidates for the role of microwave radiation absorbers ..." | ||
| 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 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 | ||
| "... , trimers, and tetrahedra. Bunch of dimers are an unusual type of self-organization of atoms in rhombohedral ..." | ||
| 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 5, No 1 (2014) | Migration processes on the surface of carbon nanotubes with substitute boron atoms | Abstract PDF (Eng) similar documents |
| S. Boroznin, E. Boroznina, P. A. Zaporotskov, O. A. Davletova | ||
| "... of an ionic-embedded covalent-cyclic cluster model, molecular cluster model and DFT method. We found that when ..." | ||
| 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 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) | Express analysis of endohedral fullerenes amount contained at fullerene mixture | Abstract PDF (Eng) similar documents |
| G. N. Churilov, A. A. Popov, U. E. Guliaeva, N. A. Samoylova, N. G. Vnukova, A. L. Kolonenko, V. G. Isakova, A. I. Dudnik, V. S. Koravanets | ||
| "... ) content in a fullerene mixture (FM). The methods of mass spectroscopy and atom emission element analysis ..." | ||
| 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 16, No 5 (2025) | Controlled release of homogeneous polypeptides from carbon nanotubes with varying PH: molecular dynamics simulation | Abstract PDF (Eng) similar documents |
| N. Yu. Kruchinin | ||
| "... Using molecular dynamics simulation at different pH levels, changes in the conformations ..." | ||
| Vol 7, No 2 (2016): Special Issue | Laser generation without inversion on the fine levels of the helium atom | Abstract PDF (Eng) similar documents |
| A. G. Petrashen, N. V. Sytenko | ||
| "... By using the example of transfer between fine structure levels in the helium atom, the possibility ..." | ||
| Vol 8, No 4 (2017) | Quantum measurement of photon distribution statistics for intra-cavity EM field monitored by dumping atom-pointer | Abstract PDF (Eng) similar documents |
| A. I. Trifanov, E. S. Trifanova | ||
| "... statistics of atomic state detector clicks. In our model, a two-level atom-pointer which passes through ..." | ||
| 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 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 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 2 (2015) | Nanocatalysis: hypothesis on the action mechanism of gold | Abstract PDF (Eng) similar documents |
| B. L. Oksengendler, B. Askarov, I. N. Nurgaliyev, S. E. Maksimov, V. N. Nikiforov | ||
| Vol 3, No 6 (2012) | Interatomic interaction in bbc metals | Abstract similar documents |
| V. Zalizniak | ||
| "... is based on the embedded atom method (V.E. Zalizniak, O.A. Zolotov. Universal interatomic potential ..." | ||
| Vol 4, No 3 (2013) | Interatomic interaction in fcc metals | Abstract PDF (Eng) similar documents |
| V. E. Zalizniak | ||
| "... . The potential is based on the embedded atom method [6]. Parameters are determined empirically by fitting ..." | ||
| Vol 11, No 3 (2020) | High harmonic generation by an atom confined in nanoscale cavity | Abstract PDF (Eng) similar documents |
| S. Z. Rakhmanov, O. V. Karpova, F. S. Khashimova, B. Kh. Eshchanov | ||
| "... We consider optical high harmonic generation in a hydrogen-like atom confined in a spherical ..." | ||
| 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 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 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 9, No 3 (2018) | Double-layered boron. The adsorption of gas-phase atom | Abstract PDF (Eng) similar documents |
| E. V. Boroznina, O. A. Kakorina, M. B. Belonenko | ||
| "... -chemical scheme MNDO. We have investigated both external adsorption and internal infiltration of atoms (H ..." | ||
| Vol 9, No 3 (2018) | Theoretical study of the slow light in the assembly of helium atoms | Abstract PDF (Eng) similar documents |
| A. G. Petrashen, N. V. Sytenko | ||
| 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 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 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 6, No 6 (2015) | Quantum dynamics of hydrogen-like atom in one-dimensional box with oscillating walls | Abstract PDF (Eng) similar documents |
| S. Rakhmanov, O. Karpova, D. R. Rakhimboeva, F. Khashimova, D. Babajanov | ||
| "... The quantum dynamics of a hydrogen-like atom confined in one-dimensional box with oscillating ..." | ||
| Vol 14, No 4 (2023) | Transport properties of GaAs Co-doped H-passivated low-buckled and high-buckled zigzag silicene nanoribbon two probe devices | Abstract PDF (Eng) similar documents |
| A. N. Naqash, K. A. Shah, J. A. Sheikh, B. Kumbhani, S.M.A. Andrabi | ||
| "... (HB) silicene based two probe devices such as I–V characteristics, conductance, transmission spectrum ..." | ||
| Vol 14, No 4 (2023) | Transport properties of GaAs Co-doped H-passivated low-buckled and high-buckled zigzag silicene nanoribbon two probe devices | Abstract PDF (Eng) similar documents |
| A. N. Naqash, K. A. Shah, J. A. Sheikh, B. Kumbhani, S.M.A. Andrabi | ||
| "... (HB) silicene based two probe devices such as I–V characteristics, conductance, transmission spectrum ..." | ||
| 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 | ||
| "... of single atoms and then calculated kinetic functions for some atomic complexes. For the examples of SiC ..." | ||
| Vol 3, No 1 (2012) | Photon density of states in optical nanomaterials and control of energy levels of atoms | Abstract similar documents |
| R. Kh. Gainutdinov, M. A. Khamadeev, E. V. Zajtseva, M. Kh Salakhov | ||
| "... of atoms with their own radiation field on the example of photonic crystals. It is shown that such effects ..." | ||
| Vol 3, No 1 (2012) | Bound states in birefringent crystals doped with two-level atoms | Abstract similar documents |
| M. B. Belonenko, A. S. Sasov, A. V Alpatov | ||
| "... atoms. Using the kinetic equation for the mean values of pseudospin operators, and decay in the random ..." | ||
| Vol 16, No 2 (2025) | Quantum coupling between radio modes in a single-atom maser with two resonators | Abstract PDF (Eng) similar documents |
| E. N. Popov, A. I. Trifanov, M. A. Moskalenko, V. A. Reshetov | ||
| "... In this work, we investigate the effect of quantum coupling between radio fields in a single-atom ..." | ||
| Vol 14, No 1 (2023) | Exact irregular solutions to radial Schrödinger equation for the case of hydrogen-like atoms | Abstract PDF (Eng) similar documents |
| C. Parkash, W. C. Parke, P. Singh | ||
| Vol 3, No 1 (2012) | Sub-doppler laser cooling of thulium atoms in a magneto-optical trap and trapping thulium atoms in a magnetic trap with low gradient of magnetic field. | Abstract similar documents |
| D. D. Sukachev, A. V. Sokolov, N. N. Kolachevsky, E. S. Kalganova, A. V. Akimov, V. N. Sorokin | ||
| "... We have studied sub-Doppler laser cooling of thulium atoms in a magneto-optical trap (MOT ..." | ||
| 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 | ||
| "... of multi–atomic systems using results of Kohn– Sham calculations for single atoms. We have obtained ..." | ||
| 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 5, No 1 (2014) | Sensor properties of carboxyl-modifies carbon nanotubes | Abstract PDF (Eng) similar documents |
| N. P. Polikarpova, I. V. Zaporotskova, D. E. Vilkeeva, D. I. Polikarpov | ||
| "... -zag, armchair type) to atoms and ions of alkali metals Na, Li, K. The mechanism of the carboxyl ..." | ||
| Vol 10, No 6 (2019) | The effect of carbon nanotube on the structure of H–NS protein DNA complex: molecular dynamics approach | Abstract PDF (Eng) similar documents |
| Najmeh Mahdavipour, Mohammad Reza Bozorgmehr, Mohammad Momen-Heravi | ||
| "... and activity of biomolecules is not completely clear. In this work, molecular dynamics simulation was used ..." | ||
| 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 5, No 4 (2014) | Boron-doped anatase: electronic band structure, boron atom locations and magnetic state | Abstract PDF (Eng) similar documents |
| V. P. Zhukov | ||
| "... of the boron-doped TiO2 with anatase structure have been performed. The locations of boron atoms ..." | ||
| Vol 9, No 1 (2018) | Sensitivity of carboxyl-modified carbon nanotubes to alkaline metals | Abstract PDF (Eng) similar documents |
| N. P. Boroznina, I. V. Zaporotskova, S. V. Boroznin | ||
| "... to the nanotube surface and interaction of the nanosystem fabricated with atoms of potassium, sodium and lithium ..." | ||
| Vol 12, No 5 (2021) | Modeling the evolution of surface nanobubbles | Abstract PDF (Eng) similar documents |
| I. A. Nesterenko, I. Y. Popov | ||
| 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 | ||
| "... consisting of sp3- and sp+sp2-hybridized atoms. The nanostructures are theoretically built on the basis ..." | ||
| Vol 10, No 1 (2019) | Hund’s rule in open-shell states of two-electron systems: From free through confined and screened atoms, to quantum dots | Abstract PDF (Eng) similar documents |
| Jacob Katriel, H. E. Montgomery, Jr., A. Sarsa, E. Buend´ıa, F. J. Galvez, K. D. Sen | ||
| "... -electron atom we consider the two-electron quantum dot confined by either a harmonic potential ..." | ||
| Vol 15, No 1 (2024) | Graph spectral analysis of nonane isomers | Abstract PDF (Eng) similar documents |
| B. I. Andrew, A. Anuradha | ||
| "... A group of substances known as alkanes is made up of carbon and hydrogen atoms bound together only ..." | ||
| 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 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 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 | ||
| "... group, ferrous and aluminium oxides. The purpose of the paper is to prove the possibility of oxygen atom ..." | ||
| Vol 4, No 5 (2013) | Accurate energy conservation in molecular dynamics simulation | Abstract PDF (Eng) similar documents |
| O. A. Zolotov, V. E. Zalizniak | ||
| "... In molecular dynamics, Hamiltonian systems of differential equations are numerically integrated ..." | ||
| 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 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 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 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 3 (2021) | The F-index and coindex of V-Phenylenic Nanotubes and Nanotorus and their molecular complement graphs | Abstract PDF (Eng) similar documents |
| Mohammed S.Y. Alsharafi, Abdu Q. Alameri | ||
| "... which often appear in drug molecular graphs. In this paper, we studied the F-index and F-coindex ..." | ||
| Vol 12, No 2 (2021) | A quantum chemical study on the magnetic nanocarrier-tirapazamine drug delivery system | Abstract PDF (Eng) similar documents |
| S. Avarand, A. Morsali, M. M. Heravi, S. А. Beyramabadi | ||
| "... ) and intraring N-atom (MNP/TP4) functional groups. The negative values of binding energies and quantum molecular ..." | ||
| Vol 2, No 3 (2011) | Thermal expansion coefficient for copper nanoclusters by molecular-dynamic method | Abstract similar documents |
| E. I Golovneva, I. F. Golovnev, V. M. Fomin | ||
| "... In the work it is carried out the molecular-dynamic research of thermal expansion linear ..." | ||
| Vol 2, No 3 (2011) | The modeling of SiC phases on basis of nanostructures | Abstract similar documents |
| E. A. Belenkov, E. N. Agalyamova, V. A. Greshnyakov | ||
| "... by molecular mechanics methods and semiempirical quantum-mechanical methods; the structural parameters and some ..." | ||
| 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 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) | 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 8, No 6 (2017) | Nanocluster structure deduced from AC-STEM images coupled to theoretical modelling | Abstract PDF (Eng) similar documents |
| K. Sukuta, M. Van den Bossche, A. Pedersen, H. Jónsson | ||
| "... is a metastable structure for the embedded atom method (EAM) potential function used here to estimate the total ..." | ||
| Vol 5, No 4 (2014) | Chlorgraphynes: formation path, structure and electronic properties | Abstract PDF (Eng) similar documents |
| A. L. Ivanovskii, A. N. Enyashin | ||
| "... The presence in graphyne sheets of a variable amount of sp2 and sp1 carbon atoms suggests a high ..." | ||
| 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 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 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 6, No 6 (2015) | Influence of the oxidation of GaAs on the work of light-emitting spintronic diodes with InGaAs/GaAs quantum wells | Abstract PDF (Eng) similar documents |
| S. Saeid | ||
| "... A study of oxygen atoms’ interactions on a GaAs (001) structure surface shows that these atoms ..." | ||
| 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 | ||
| "... properties of zinc selenide nanowire. For this purpose the shapes under consideration are 2 atom linear wire ..." | ||
| Vol 16, No 4 (2025) | Inherent noise present in molecular dynamics simulations and what can be learnt from it for 2D Lennard–Jones system | Abstract PDF (Eng) similar documents |
| M. V. Kondrin, Yu. B. Lebed | ||
| "... We have investigated the influence of finite number of particles used in molecular dynamics ..." | ||
| Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) | Biocompatible water-soluble endometallofullerenes: peculiarities of self-assembly in aqueous solutions and ordering under an applied magnetic field | Abstract PDF (Eng) similar documents |
| V. T. Lebedev, Yu. V. Kulvelis, V. V. Runov, A. A. Szhogina, M. V. Suyasova | ||
| "... Tomography). Their functional characteristics depend strongly on molecular self-assembly which may be altered ..." | ||
| Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) | The divacancy V2 and V – C = C – V configurations on the diamond surface: quantum-chemical simulation | Abstract PDF (Eng) similar documents |
| O. Yu. Ananina, N. A. Lvova, E. V. Severina | ||
| "... of molecular adsorption. ..." | ||
| Vol 6, No 4 (2015) | Estimation of the contact area of solids by electrothermal analogy | Abstract PDF (Eng) similar documents |
| E. D. Eidelman | ||
| "... in terms of this analogy, electrical conductance is assumed to correlate with heat transfer. As a result ..." | ||
| Vol 6, No 1 (2015) | Polarization characteristics of radiation of atomic ensemble under coherent excitation in the presence of a strong magnetic field | Abstract PDF (Eng) similar documents |
| A. G. Petrashen, N. V. Sytenko | ||
| "... characteristics of an ensemble of He atoms in 33S1 state in the presence of the strong magnetic field when ..." | ||
| Vol 3, No 1 (2012) | Microscopic discrete model of nonideal photodetector | Abstract similar documents |
| G. P. Miroshnichenko, A. I. Trifanov | ||
| "... to the possibility of appearing "dark" and "bright" clicks of ionization chamber, which measures the atom state ..." | ||
| Vol 3, No 2 (2012) | “Superradiant” phase transition in the presence of optical collisions | Abstract similar documents |
| I. Yu. Chestnov, A. P. Alodjants, S. M. Arakelian | ||
| "... A problem of high-temperature phase transitions for coupled (dressed) atom-light states ..." | ||
| Vol 5, No 5 (2014) | Optical micro-structuring of metal films on the surface of dielectric materials: prospects of shaping by non-diffracting optical beams | Abstract PDF (Eng) similar documents |
| R. Drampyan, T. Vartanyan | ||
| "... The technique of optical micro-structuring of metal films based on processes of metal atoms ..." | ||
| Vol 11, No 6 (2020) | Nonmagnetic impurities in skyrmion racetrack memory | Abstract PDF (Eng) similar documents |
| M. N. Potkina, I. S. Lobanov, V. M. Uzdin | ||
| "... The influence of non-magnetic defects of different sizes on the stability and anchoring ..." | ||
| Vol 7, No 3 (2016) | Mathematical modeling for the evaluation of various parameters of 5-methyl salicylaldehyde aniline nano composite using fuzzy evidence theory | Abstract PDF (Eng) similar documents |
| R. Irene Hepzibah, G. Geethalakshmi, R. Ida Malarselvi | ||
| "... molecules and changes in molecular association equilibria as well as structural effects for these systems ..." | ||
| Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) | Synthesis, isolation, and X-ray structural characterization of trifluoromethylated C78 fullerenes: C78(2)(CF3)10/12 and C78 (3)(CF3)12/14 | Abstract PDF (Eng) similar documents |
| N. B. Tamm, M. P. Kosaya, M. A. Fritz, S. I. Troyanov | ||
| "... fraction. Their molecular structures were determined by single crystal X-ray crystallography using ..." | ||
| Vol 8, No 6 (2017) | Cerium dioxide nanoparticles as third-generation enzymes (nanozymes) | Abstract PDF (Eng) similar documents |
| A. L. Popov, A. B. Shcherbakov, N. M. Zholobak, A. Ye. Baranchikov, V. K. Ivanov | ||
| "... on their composition and pH of media, development of molecular sensors and biosensors, etc. ..." | ||
| Vol 5, No 6 (2014) | New route to poly (2, 6–diimidaazo (4,5-b: 4’,5-e) pyridinelene-1,4 (2,5-dihydroxy)-phenylene) (PIPD) and high modulus fiber on it basis | Abstract PDF (Eng) similar documents |
| Jun Li, Zhen Hu, Yuanjun Song, Yudong Huang, V. V. Zuev | ||
| "... . PIPD was synthesized by step-by-step heating in polyphosphoric acid with molecular weights of 19 – 25 ..." | ||
| Vol 16, No 3 (2025) | Boron doped small fullerenes C20, C24, C28 as a basis for the formation of heterostructures | Abstract PDF (Eng) similar documents |
| A. R. El Zanin, S. V. Boroznin, I. V. Zaporotskova | ||
| "... and to determine the dependence of this parameter on the concentration of boron atoms. The established dependence ..." | ||
| Vol 5, No 6 (2014) | Physical properties of hot wall deposited Sn1-xPbxS thin films | Abstract PDF (Eng) similar documents |
| V. F. Gremenok, V. A. Ivanov, H. Izadneshan, V. V. Lazenka, A. Bakouie | ||
| "... Sn1-xPbxS samples showed p-type electrical conductivity. Increasing the lead atom concentration ..." | ||
| Vol 6, No 1 (2015) | Border effect, fractal structures and brightness oscillations in non-silver photographic materials | Abstract PDF (Eng) similar documents |
| A. B. Plachenov, B. T. Plachenov | ||
| "... process of decomposition causes the aggregation of metal atoms or metal salts molecules to point centers ..." | ||
| Vol 12, No 3 (2021) | Synthesis of core-shell titanium dioxide nanoparticles with water-soluble shell of poly(methacrylic acid) | Abstract PDF (Eng) similar documents |
| Е. L. Krasnopeeva, E. Yu. Melenevskaya, O. A. Shilova, A. M. Nikolaev, A. V. Yakimansky | ||
| "... nanoparticles with polymethacrylic acid using the method of controlled atom transfer radical polymerization ..." | ||
| 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 12, No 2 (2021) | Nanostructured tetragonal crystal NdVO4 for the detection of liquefied petroleum gas | Abstract PDF (Eng) similar documents |
| D. R. Kamble, S. V. Bangale, S. R. Bamane | ||
| "... (TEM), to depict the crystallite microstructure. Conductance responses of the nanocrystalline NdVO4 ..." | ||
| Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) | Modification of the mechanical properties of zirconium dioxide ceramics by means of multiwalled carbon nanotubes | Abstract PDF (Eng) similar documents |
| E. A. Lyapunova, S. V. Uvarov, M. V. Grigoriev, S. N. Kulkov, O. B. Naimark | ||
| "... oxygen atoms for first type and silver and yttrium atoms for second type of mechanical response ..." | ||
| Vol 8, No 6 (2017) | Role of carbon in the formation of the structure and magnetic properties of Ni@CNx nanoclusters under reactive magnetron deposition | Abstract PDF (Eng) similar documents |
| R. V. Shalayev, V. N. Varyukhin, A. M. Prudnikov, A. I. Linnik, V. V. Syrotkin | ||
| "... to the crystallization of Ni atoms, and the C and N atoms are forced out onto the surface of the nickel core, forming ..." | ||
| Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) | Is graphane the most stable carbon monohydride? | Abstract PDF (Eng) similar documents |
| M. V. Kondrin, V. V. Brazhkin | ||
| "... atoms. Possible synthetic routes are proposed. Due to their exceptional mechanical, structural ..." | ||
| Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) | Synthesis of high-purity multilayer graphene using plasma jet | Abstract PDF (Eng) similar documents |
| R. H. Amirov, M. E. Iskhakov, M. B. Shavelkina | ||
| "... developed. Carbon atoms were generated by the decomposition of propane-butane, methane and acetylene ..." | ||
| Vol 4, No 4 (2013): Special Issue. INTERNATIONAL CONFERENCE "MATHEMATICAL CHALLENGE OF QUANTUM TRANSPORT IN NANOSYSTEMS - 2013. PIERRE DUCLOS WORKSHOP" | Hysteresis of conductivity in the granular silver films | Abstract PDF (Eng) similar documents |
| I. A. Gladskikh, N. B. Leonov, S. G. Przhibel’skii, T. A. Vartanyan | ||
| "... atom diffusion on film formation is revealed, both during and after deposition. The effect ..." | ||
| Vol 8, No 1 (2017) | Crystalline structure and properties of diamond-like materials | Abstract PDF (Eng) similar documents |
| E. A. Belenkov, M. M. Brzhezinskaya, V. A. Greshnyakov | ||
| "... of whose atoms occupy equivalent crystallo graphic positions, were studied. Structures of these phases were ..." | ||
| 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 | ||
| "... and orbitalfree (OF) method are used to for calculation of the binding energies per atom as functions ..." | ||
| Vol 14, No 3 (2023) | The first Schur complement for a lattice spin-boson model with at most two photons | Abstract PDF (Eng) similar documents |
| T. Rasulov, E. Dilmurodov | ||
| "... In the present paper, we consider a lattice spin-boson model A2 with a fixed atom and at most two ..." | ||
| 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 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) | Approaches to the determination of C60 and C70 fullerene and their mixtures in aqueous and organic solutions | Abstract PDF (Eng) similar documents |
| I. V. Mikheev, T. A. Bolotnik, D. S. Volkov, M. V. Korobov, M. A. Proskurnin | ||
| "... dispersion is prepared for the first time. The residual quantity of the organic solvent and low-molecular ..." | ||
| 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 6, No 3 (2015) | Atomic order and metallic nanoclusters in Na4Ir3O8 | Abstract PDF (Eng) similar documents |
| M. V. Talanov, V. B. Shirokov, V. M. Talanov | ||
| "... , is six dimensional irreducible representation k10(τ1) (in Kovalev designation). Ir and Na atoms form ..." | ||
| Vol 8, No 5 (2017) | Universal mechanism of tetrahedral metal cluster formation in structures with breathing pyrochlore sublattices | Abstract PDF (Eng) similar documents |
| M. V. Talanov, V. M. Talano | ||
| "... of atoms, between which bond clusters, are found. These groups of atoms define electron correlation effects ..." | ||
| Vol 13, No 5 (2022) | Investigation of boron-doped delta layers in CVD diamond grown on single-sector HPHT substrates | Abstract PDF (Eng) similar documents |
| M. A. Lobaev, A. L. Vikharev, A. M. Gorbachev, D. B. Radishev, E. A. Arkhipova, M. N. Drozdov, V. A. Isaev, S. A. Bogdanov, V. A. Kukushkin | ||
| "... layers with a thickness of 0.8 - 2 nm were grown with a concentration of boron atoms of (1 - 1.7)·1021 cm ..." | ||
| Vol 8, No 3 (2017) | Indirect interaction of impurity spins on the surface of topological insulators | Abstract PDF (Eng) similar documents |
| A. V. Ten, M. B. Belonenko | ||
| "... between atoms, asymptotically decreasing to zero. λ is a parameter associated with hexagonal distortion ..." | ||
| Vol 7, No 6 (2016) | Macroscopic thermoelectric efficiency of carbon nanocomposites | Abstract PDF (Eng) similar documents |
| E. D. Eidelman, A. P. Meilakhs | ||
| "... -like (d) regions made of sp2 and sp3 hybridized carbon atoms, respectively. The impact of heat transfer ..." | ||
| 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 5, No 2 (2014) | Synthesis of graphene nanoplatelets from peroxosulfate graphite intercalation compounds | Abstract PDF (Eng) similar documents |
| A. V. Melezhyk, A. G. Tkachev | ||
| "... peroxodisulfate anions with formation of active free radicals which (3) attach covalently to carbon atoms; (4 ..." | ||
| Vol 8, No 5 (2017) | Spectral properties of spontaneous photon emission by a material twolevel system in a parabolic cavity | Abstract PDF (Eng) similar documents |
| G. Alber, A. V. Chizhov | ||
| "... an atom or ion, in a parabolic cavity are investigated. In particular, we concentrate on the special case ..." | ||
| Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) | Etching of wrinkled graphene oxide films in noble gas atmosphere under UV irradiation | Abstract PDF (Eng) similar documents |
| A. E. Aleksenskii, S. P. Vul’, A. T. Dideikin, V. I. Sakharov, I. T. Serenkov, M. K. Rabchinskii, V. V. Afrosimov | ||
| "... that the observed effect is related to the oxidation of carbon atoms in the graphene scaffold of graphene oxide ..." | ||
| Vol 8, No 5 (2017) | Two facile routes for functionalization of WS2 nanotubes with silver nanoparticles | Abstract PDF (Eng) similar documents |
| A. Yu. Polyakov, V. A. Lebedev, L. Yadgarov, E. A. Goodilin | ||
| "... attached to the nanotubes’ surfaces. The hexagonal arrangement of sulfur atoms of the outer WS2 layer ..." | ||
| Vol 12, No 4 (2021) | On Sombor energy of graphs | Abstract PDF (Eng) similar documents |
| K. J. Gowtham, Narahari Narasimha Swamy | ||
| "... topological indices called forgotten indices. When ES(G) values of some molecules containing hetero atoms ..." | ||
| Vol 11, No 1 (2020) | Magnetoelectric effects theory by Heisenberg method based on permutation group symmetry of nanoparticles | Abstract PDF (Eng) similar documents |
| S. Leble | ||
| "... and number of closest neighbors for surface and bulk atoms. The relative contribution of the surface and bulk ..." | ||
| Vol 11, No 5 (2020) | A facile low-temperature deposition of Sn-rich tin (II) monosulfide colloid particles | Abstract PDF (Eng) similar documents |
| N. S. Kozhevnikova, L. N. Maskaeva, E. E. Lekomtseva, L. A. Pasechnik, A. Yu. Chufarov, O. A. Lipina, A. N. Enyashin, V. F. Markov | ||
| "... simple scenarios for Sn surplus within SnS lattice (Svacancies at S-sublattice, Sn-atoms intercalated ..." | ||
| Vol 16, No 5 (2025) | GdI3 fullerenes: a DFT study of structural and electronic properties | Abstract PDF (Eng) similar documents |
| A. N. Enyashin | ||
| "... of tetrahedral, octahedral and icosahedral GdI3 fullerenes with the size up to ∼1000 atoms are constructed ..." | ||
| Vol 15, No 6 (2024) | Granular Ni–Mo–W bulk hydrotreating catalyst: the effects from precursor calcination | Abstract PDF (Eng) similar documents |
| K. A. Nadeina, Yu. V. Vatutina, P. P. Mukhacheva, S. V. Budukva, I. G. Danilova, V. P. Pakharukova, E. Yu. Gerasimov, M. A. Panafidin, O. V. Klimov | ||
| "... by Ni atoms. Catalysts testing in hydrotreatment of SRVGO demonstrates that the best choice ..." | ||
| Vol 9, No 1 (2018) | Crystal structure and Raman spectra of molecular complex {Cd(Et2dtc)}2·DABCO ·C60·(DABCO)2 at high pressure | Abstract PDF (Eng) similar documents |
| A. V. Kuzmin, D. V. Konarev, S. S. Khasanov, K. P. Meletov | ||
| "... The crystal structure of the molecular donor-acceptor complex {Cd(Et2dtc)}2·DABCO ·C60·(DABCO)2 ..." | ||
| Vol 7, No 1 (2016): Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015) | Investigation of the sorption properties of carbon nanotubes with different boron impurity contents | Abstract PDF (Eng) similar documents |
| S. V. Boroznin, I. V. Zaporotskova, N. P. Polikarpova | ||
| "... chemical scheme, as well as DFT method. The authors studied mechanism of Cl and O atoms sorption onto ..." | ||
| 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 | ||
| "... , the unit cell of the Ti9O10 nanophase as well as the distribution of atoms and structural vacancies ..." | ||
| Vol 10, No 1 (2019) | Photo- and cathodoluminescence spectra of diamond single crystals formed by sintering of detonation nanodiamond | Abstract PDF (Eng) similar documents |
| S. V. Kidalov, M. V. Zamoryanskaya, V. A. Kravez, L. V. Sharonova, F. M. Shakhov, E. B. Yudina, T. O. Artamonova, M. A. Khodorkovskii, A. Ya. Vul | ||
| "... electron microscopy (SEM), PL and CL. Mass spectra confirmed that Gd and Eu atoms were inserted ..." | ||
| Vol 16, No 2 (2025) | Understanding the electronic properties of carbon polyprismanes from the sp3 tight-binding model | Abstract PDF (Eng) similar documents |
| V. A. Kurakin, T. N. Kobernik | ||
| "... because they (polyprismanes) also consist of the 4-coordinated carbon atoms. A carbon polyprismane ..." | ||
| Vol 16, No 6 (2025) | Defective aluminum nitride monolayer as electrode material for supercapacitor applications: a DFT study | Abstract PDF (Eng) similar documents |
| Shamsuddin Ahmad, Md. Mahfoozul Haque, Zaheer Abbas, Md. Shahzad Khan | ||
| "... is the least favorable option. The presence of under-coordinated atoms near the defect leads to the emergence ..." | ||
| 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 15, No 2 (2024) | Nanocomposites of aromatic poly(amide-imide) with nanotubular Mg-Fe hydrosilicate | Abstract PDF (Eng) similar documents |
| S. V. Kononova, G. K. Lebedeva, V. S. Kozlov, E. N. Korytkova, T. P. Maslennikova, E. V. Kruchinina, E. N. Vlasova, N. N. Saprykina, G. N. Gubanova, M. E. Vylegzhanina, V. T. Lebedev | ||
| "... to the molecular weight of the polymer used. According to Mössbauer spectroscopy data, nanotubes introduced ..." | ||
| Vol 7, No 6 (2016) | High-temperature superconductivity: From macro- to nanoscale structures | Abstract PDF (Eng) similar documents |
| A. N. Kovalenko | ||
| "... levels, including change in the energy spectrum of atoms in these materials with the advent ..." | ||
| Vol 11, No 2 (2020) | Synthesis and characterisation of CZTSe bulk materials for thermoelectric applications | Abstract PDF (Eng) similar documents |
| Yogeshchandra Sharma | ||
| "... . XPS analysis reveals constituent atoms display chemical valences of +1, +2, +4, and −1 for Cu, Zn, Sn ..." | ||
| Vol 5, No 1 (2014) | Synthesis, isolation, and X-ray structural characterization of trifluoromethylated C90 fullerenes: C90(30)(CF3)18 and C90(35)(CF3)14 | Abstract PDF (Eng) similar documents |
| N. B. Tamm, S. I. Troyanov | ||
| "... . Their molecular structures were determined by single crystal X-ray crystallography using synchrotron radiation ..." | ||
| Vol 8, No 1 (2017) | On a non-separable quantum many-particle system on the half-line | Abstract PDF (Eng) similar documents |
| J. Kerner, T. Mühlenbruch | ||
| "... and a binding-potential leading to a molecular-like state. We will formulate the model precisely, obtaining ..." | ||
| Vol 3, No 2 (2012) | Non-linear optical channels of the polarizability induction in a pair of interacting molecules | Abstract similar documents |
| A. P. Kouzov, N. I. Egorova, M. Chrysos, F. Rachet | ||
| "... Intermolecular interactions give rise to the incremental polarizabilities in molecular ensembles ..." | ||
| Vol 12, No 5 (2021) | Structural and energetic analysis of cyclic peptide-gold nano-drug delivery system: a DFT study | Abstract PDF (Eng) similar documents |
| B. Khoshbayan, A. Morsali, M. R. Bozorgmehr, S. A. Beyramabad | ||
| "... (FU) were investigated. Binding energies, quantum molecular descriptors, and solvation energies ..." | ||
| Vol 9, No 6 (2018) | Antioxidant properties of fullerenol-d | Abstract PDF (Eng) similar documents |
| D. P. Tyurin, F. S. Kolmogorov, I. A. Cherepkova, N. A. Charykov, K. N. Semenov, V. A. Keskinov, N. M. Safyannikov, Yu. V. Pukharenko, D. G. Letenko, T. A. Segeda, Z. Shaimardanov | ||
| "... fullerenol-d solutions were investigated against free radicals, generated by hydrogen peroxide and molecular ..." | ||
| Vol 11, No 5 (2020) | Computational analysis of some degree based topological indices of cubic structured tungsten trioxide [l,m,n] nanomultilayer | Abstract PDF (Eng) similar documents |
| M. S. Duraisami, K. Parasuraman | ||
| "... Topological indices are numerical invariants of molecular graphs and are beneficial for predicting ..." | ||
| Vol 2, No 2 (2011) | MD calculation mechanical properties of Fluorographene | Abstract PDF (Eng) similar documents |
| M. A. Mazo, E. B. Gusarova, T. P. Tovstik, N. K. Balabaev | ||
| "... or fluorographen (FG). The calculations were performed by molecular dynamics (MD) simulation using a force field ..." | ||
| Vol 12, No 1 (2021) | On the long-distance charge transport in DNA-like macromolecules | Abstract PDF (Eng) similar documents |
| D. Chevizovich, A. V. Chizhov, Z. Ivić, A. A. Reshetnyak | ||
| "... to an energetically favorable state depends on the ratio of the energy parameters of the molecular structure. ..." | ||
| Vol 11, No 3 (2020) | M-polynomial and related degree-based topological indices of the third type of hex-derived network | Abstract PDF (Eng) similar documents |
| Shibsankar Das, Shikha Rai | ||
| "... with the various physical properties, biological activities and chemical reactivities of molecular graphs ..." | ||
| Vol 9, No 6 (2018) | Resistance of UV-perforated reduced graphene oxide on polystyrene surface | Abstract PDF (Eng) similar documents |
| N. N. Nikolaeva, A. N. Bugrov, T. D. Anan’eva, A. T. Dideikin, M. K. Rabchinskii, А. N. Ionov | ||
| "... based on polystyrene with molecular weights of 9,000 Da and 45,000 Da were synthesized to compare ..." | ||
| Vol 2, No 3 (2011) | Planar flows in nanoscale regions | Abstract PDF (Eng) similar documents |
| S. A. Chivilikhin, I. Yu. Popov, V. V. Gusarov | ||
| "... equations of nanohydrodynamics. Usually, the molecular dynamics is used for computations. As for analytical ..." | ||
| Vol 6, No 4 (2015) | Dielectric relaxation of fulleroid materials filled PA6 composites and the study of its mechanical performance | Abstract PDF (Eng) similar documents |
| A. N. Sinitsin, V. V. Zuev | ||
| "... . This means that the local ‘molecular stiffness’ is increased, and a phenomenological link between ..." | ||
| Vol 12, No 1 (2021) | Physicochemical and biochemical properties of the Keplerate-type nanocluster polyoxomolybdates as promising components for biomedical use | Abstract PDF (Eng) similar documents |
| A. A. Ostroushko, K. V. Grzhegorzhevskii, S. Yu. Medvedeva, I. F. Gette, M. O. Tonkushina, I. D. Gagarin, I. G. Danilova | ||
| "... . Also, the paper deals with the results of studies of POM effect on living systems at the molecular ..." | ||
| Vol 12, No 2 (2021) | Chemical applicability of Gourava and hyper-Gourava indices | Abstract PDF (Eng) similar documents |
| B. Basavanagoud, Shruti Policepatil | ||
| "... Topological indices are extensively used as molecular descriptors in building Quantitative ..." | ||
| Vol 9, No 3 (2018) | On an adsorption/photocatalytic performance of nanotubular Mg3Si2O5(OH)4/TiO2 composite | Abstract PDF (Eng) similar documents |
| A. A. Krasilin, I. S. Bodalyov, A. A. Malkov, E. K. Khrapova, T. P. Maslennikova, A. A. Malygin | ||
| "... according to the molecular layering technique. Decolorization was observed in situ by UV-VIS spectroscopy ..." | ||
| 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 4, No 6 (2013) | Influence of Sb content on phase composition change of nanoscaled Co-Sb films deposited on heated substrate | Abstract PDF (Eng) similar documents |
| Yu. N. Makogon, E. P. Pavlova, S. I. Sidorenko, R. A. Shkarban | ||
| "... CoSbx (30 nm) (1.82 6 x 6 4.16) films deposited by molecular-beam epitaxy on substrates of oxidized ..." | ||
| Vol 9, No 1 (2018) | Catalytic pyrene and pyrene butyric acid condensation as a means of producing graphene | Abstract PDF (Eng) similar documents |
| O. A. Shinkarenko, M. V. Pozharov, A. S. Kolesnikova, A. S. Chumakov, A. J. K. Al-Alwani, O. Yu. Tsevtkova, E. G. Glukhovskoy | ||
| "... In the present study, we have conducted molecular modeling of a potential method of graphene sheet ..." | ||
| Vol 15, No 4 (2024) | Kinetic of colloidal-chemical transformations during the decomposition of ammonia complexes of Zn(II) in alkaline solutions. | Abstract PDF (Eng) similar documents |
| M. A. Maksimova, E. V. Polyakov, I. V. Volkov, A. P. Tyutyunnik, A. A. Ioshin | ||
| "... that up to 95 ◦C the ion-molecular growth of Zn(OH)2/ZnO clusters in solution (Σ) proceeds in a diffusion ..." | ||
| Vol 14, No 2 (2023) | Colloidal-chemical mechanism of Zn(OH)2–ZnO layer formation at the glass– ammonia solution– Zn(II) interface | Abstract PDF (Eng) similar documents |
| E. V. Polyakov, M. A. Maksimova, J. V. Kuznetsova, L. Yu. Buldakova | ||
| "... of the electrolyte solution, the second stage develops, consisting of the nucleation and ionic-molecular growth of Zn ..." | ||
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