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Issue Title
 
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 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
"... in a system with an arbitrary number of spins using the second derivatives of the energy with respect ..."
 
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 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 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 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 14, No 4 (2023) On spin flip for electron scattering by several delta-potentials for 1D Hamiltonian with spin-orbit interaction Abstract  PDF (Eng)  similar documents
I. V. Blinova, E. N. Grishanov, A. I. Popov, I. Y. Popov, M. O. Smolkina
"... One-dimensional Rashba and Dresselhaus Hamiltonians with spin-orbit interaction are studied ..."
 
Vol 10, No 1 (2019) Persistent current in a chain of two Holstein–Hubbard rings in the presence of Rashba spin-orbit interaction Abstract  PDF (Eng)  similar documents
A. Chatterjee, M. O. Smolkina, I. Y. Popov
"... is studied in the presence of electron-phonon interactions and Rashba spin-orbit coupling. The chain ..."
 
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 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 4, No 3 (2013) Absorption of electromagnetic radiation in the quantum well placed in a magnetic field Abstract  PDF (Eng)  similar documents
V. V. Karpunin, V. A. Margulis
"... . These calculations take into account the spin-orbit interaction (SOI) in the Rashba model. Analytical expression ..."
 
Vol 2, No 3 (2011) Coulomb effects on the spin polarization of quantum ring Abstract  PDF (Eng)  similar documents
A. Manolescu, C. Daday, V. Gudmundsson
"... spin-orbit interaction. We include the Coulomb interaction in the the ”exact diagonalization” manner ..."
 
Vol 11, No 3 (2020) Negative differential resistance in gate all-around spin field effect transistors Abstract  PDF (Eng)  similar documents
G.F.A. Malik, M. A. Kharadi, F. A. Khanday, K. A. Shah, N. Parveen
"... In this paper, novel gate all-around spin field effect transistors (GAA Spin-FETs) with three ..."
 
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 15, No 5 (2024) Effect of structural parameters, and spin-orbit interaction on the electronic properties of double quantum wire systems in the presence of external magnetic field Abstract  PDF (Eng)  similar documents
Mahmoud Ali, Mohammad Elsaid
"... , the Rashba spin-orbit coupling and the external magnetic field on the energy spectra and the local density ..."
 
Vol 15, No 5 (2024) Translation-invariant Gibbs measures for the mixed spin-1/2 and spin-1 Ising model with an external field on a Cayley tree Abstract  PDF (Eng)  similar documents
Muzaffar M. Rahmatullaev, Dilshod O. Egamov
"... Phase transitions of the mixed spin-1/2 and spin-1 Ising model under the presence of an external ..."
 
Vol 11, No 1 (2020) The Lagrange variety approach applied to frustrated classical wheels Abstract  PDF (Eng)  similar documents
W. Florek, A. Marlewski, G. Kamieniarz, M. Antkowiak
 
Vol 10, No 1 (2019) Fabrication and characterization of TiO2/SiO2 multilayers using sol-gel spin coating method Abstract  PDF (Eng)  similar documents
S. Saravanan, R. S. Dubey
"... by the sol-gel process and a spin coating method. This study investigated the possibility of creating ..."
 
Vol 9, No 6 (2018) Models of the energy landscape for an element of shakti spin ice Abstract  PDF (Eng)  similar documents
U. B. Arnalds, S. Y. Liashko, P. F. Bessarab, V. M. Uzdin, H. Jonsson´
"... magnetic islands representing an element of a shakti spin ice lattice. Several pathways for transitions ..."
 
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
"... showed that the magnetic ordering of the impurity spins varies periodically with increasing distance ..."
 
Vol 5, No 1 (2014) Graphene edge spins: spintronics and magnetism in graphene nanomeshes Abstract  PDF (Eng)  similar documents
T. Hashimoto, S. Kamikawa, Y. Yagi, J. Haruyama, H. Yang, M. Chshiev
"... in quantitative agreement with two theories. Moreover, a spin pumping effect is found for fields applied ..."
 
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
 
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 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
"... Based on the symmetry related concept of the group theory we predict two structures with enan ..."
 
Vol 15, No 1 (2024) On solutions to nonlinear integral equation of the Hammerstein type and its applications to Gibbs measures for continuous spin systems Abstract  PDF (Eng)  similar documents
I. M. Mavlonov, A. M. Sattarov, S. A. Karimova, F. H. Haydarov
"... positive solutions are not unique. This problem arises from the theory of Gibbs measures, and each positive ..."
 
Vol 13, No 4 (2022) Sol-gel spin coating of dielectric reflector for energy harvesting and heat shielding applications Abstract  PDF (Eng)  similar documents
R. S. Dubey, Yepuri Venkatesh
"... -gel spin coating technique for the fabrication of a dielectric reflector that can serve as a window ..."
 
Vol 11, No 5 (2020) Spin-glass transition in porous spheres BiFeO3 Abstract  PDF (Eng)  similar documents
A. V. Dmitriev, E. V. Vladimirova, M. A. Semkin, A. V. Korolev
"... to 300 K. A transition to cluster spin glass state has been detected in the region of about 100 K ..."
 
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 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
 
Vol 6, No 6 (2015) First observations of entropy vs free energy for lattice based Ising model for spin coarsening in conserved and non-conserved binary mixtures: a phenomenological study of phase transitions in 2D thin films Abstract  PDF (Eng)  similar documents
Pal Singh Satya
"... magnetic field). This is in quantitative agreement with theory. The spin correlation function diverges ..."
 
Vol 10, No 2 (2019) Numerical solution for the Schrodinger equation with potential in graphene structures Abstract  PDF (Eng)  similar documents
L. A. Nhat
"... and the corresponding eigenfunctions of the nonlinear spin waves in the graphene structure. Additionally, these results ..."
 
Vol 9, No 2 (2018) The Lieb–Mattis theorem revisited Abstract  PDF (Eng)  similar documents
W. Florek
"... ‘strong’ form and applied mainly to many type of infinite spin lattices. It can be easily proved ..."
 
Vol 12, No 5 (2021) Modeling the evolution of surface nanobubbles Abstract  PDF (Eng)  similar documents
I. A. Nesterenko, I. Y. Popov
 
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) 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 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
"... Evidence Theory and the results are interpreted on the basis of possible hydrogen bonding between unlike ..."
 
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 16, No 2 (2025) Pinned gradient measures of SOS model associated with HA-boundary laws on Cayley trees Abstract  PDF (Eng)  similar documents
F. H. Haydarov, R. A. Ilyasova, K. S. Mamayusupov
 
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 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 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 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 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 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 6, No 3 (2015) Classical density functional approach to adsorption of hydrogen in carbon materials Abstract  PDF (Eng)  similar documents
V. V. Zubkov, V. M. Samsonov, I. V. Grinev, I. V. Popov
"... .33, 77, 200 and 300 K) over a wide range of pressures using the classical density functional theory ..."
 
Vol 4, No 4 (2013): Special Issue. INTERNATIONAL CONFERENCE "MATHEMATICAL CHALLENGE OF QUANTUM TRANSPORT IN NANOSYSTEMS - 2013. PIERRE DUCLOS WORKSHOP" Negative eigenvalues of the Y-type chain of weakly coupled ball resonators Abstract  PDF (Eng)  similar documents
A. S. Anikevich
"... an equilateral triangle. The transfer-matrix approach and the theory of extensions are employed to solve ..."
 
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 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 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 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 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
"... remains a challenge. Using atomistic spin simulations and minimum energy path calculations in a PdFe/Ir ..."
 
Vol 6, No 5 (2015) The optical properties of the cobalt nanoparticles in the transparent condensed matrices Abstract  PDF (Eng)  similar documents
M. V. Ananyeva, A. V. Kalenskii, A. A. Zvekov, A. P. Nikitin, I. Yu. Zykov
 
Vol 7, No 4 (2016) In4Mg3 in InxMg3 (x = 1 − 6) series: a magic unit for future smart materials Abstract  PDF (Eng)  similar documents
D. R. Roy, M. Shaikh, V. Kumar
 
Vol 3, No 3 (2012) Spectral problem for the chains of weakly coupled conglobate resonators Abstract  similar documents
A. S. Anikevich
"... by using of the theory of self-adjoint extensions of symmetric operators, Bloch's theory and approach ..."
 
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 4, No 1 (2013) The role of coherency in the phenomena of electron transfer in biochemical nanosystems in the Nature Abstract  similar documents
V. V. Eremin, I. O. Glebov, V. V. Poddubniy
 
Vol 16, No 4 (2025) Surface electronic structure of TbIr2Si2 antiferromagnet Abstract  PDF (Eng)  similar documents
D. A. Perminova, I. A. Shvets, D. Yu. Usachov, D. V. Vyalykh, S. V. Eremeev
"... By means of ab initio density functional theory (DFT) calculations, we examined the surface ..."
 
Vol 4, No 3 (2013) The effects of defects on electron transport in metallic single wall carbon nanotubes Abstract  PDF (Eng)  similar documents
S. Sivasathya, D. John Thiruvadigal
"... with the density functional theory (DFT). The transmission spectra and the projected density of states ..."
 
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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