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Vol 3, No 6 (2012) Adiabatic and vertical ionization potentials of single-walled carbon nanotubes Abstract  similar documents
I. K. Petrushenko, N. A. Ivanov
"... (SWNT) were calculated by the DFT method. The changes of ionization potentials of structures ..."
 
Vol 6, No 6 (2015) Quasi free-standing one-dimensional nanocrystals of PbTe grown in 1.4 nm SWNTs Abstract  PDF (Eng)  similar documents
A. V. Lukashin, N. S. Falaleev, N. I. Verbitskiy, A. A. Volykhov, I. I. Verbitskiy, L. V. Yashna, A. S. Kumskov, N. A. Kiselev, A. A. Eliseev
"... Here, we show successful filling of 1.4 nm single-walled carbon nanotubes (SWNT) with PbTe ..."
 
Vol 5, No 4 (2014) Chlorgraphynes: formation path, structure and electronic properties Abstract  PDF (Eng)  similar documents
A. L. Ivanovskii, A. N. Enyashin
"... ) with variable Cl/C stoichiometry may be expected. Here, employing DFT band structure calculations, a series ..."
 
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
"... nanoparticle Fe6(OH)18(H2O)6 (MNP) have been examined by using density functional theory (DFT). Important ..."
 
Vol 16, No 4 (2025) Half-metallic dichalcogenide doped with a transition metal for selective gas adsorption Abstract  PDF (Eng)  similar documents
A. I. Ayesh
"... to their impact on the greenhouse effect as well as climate change. Density functional theory (DFT) and first ..."
 
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
 
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
 
Vol 15, No 3 (2024) Investigating the sensing performance of silicene nanoribbon towards methanol and ethanol molecules: A computational study Abstract  PDF (Eng)  similar documents
Sh. Showket, Kh. A. Shah, Gh. N. Dar, M. A. Andrabi
"... great potential for use as disposable sensors and scavengers for toxic gas molecules. ..."
 
Vol 10, No 4 (2019) Thermodynamics of H–T phase transition in MoS2 single layer Abstract  PDF (Eng)  similar documents
I. S. Popov, A. N. Enyashin
"... , the potential energy surfaces for polymorphic H- and T-MoS2 layers are mapped. While the energy barriers for H→T ..."
 
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
 
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
"... C20, C24, C28 were investigated using density functional theory (DFT) methods. Average bonds lengths ..."
 
Vol 6, No 4 (2015) Structural hierarchy of NH4V3O7 particles prepared under hydrothermal conditions Abstract  PDF (Eng)  similar documents
G. S. Zakharova, Y. Liu, I. S. Popov, A. N. Enyashin
 
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
 
Vol 11, No 4 (2020) Supercritical fluid synthesis and possible properties of “cubic graphite” Abstract  PDF (Eng)  similar documents
A. V. Pokropivny, A. N. Enyashin, A. S. Smolyar, V. A. Kuts, V. G. Gurin, S. A. Antipov, P. M. Silenko, Yu. M. Solonin
 
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
"... the framework of the molecular cluster model and DFT method. ..."
 
Vol 10, No 6 (2019) Exact calculation of the trace of the Birman–Schwinger operator of the one-dimensional harmonic oscillator perturbed by an attractive Gaussian potential Abstract  PDF (Eng)  similar documents
S. Fassari, F. Rinaldi
"... -dimensional harmonic oscillator perturbed by a Gaussian potential, showing that it can be written as a ratio ..."
 
Vol 8, No 1 (2017) Simulation of DIBL effect in 25 nm SOI-FinFET with the different body shapes Abstract  PDF (Eng)  similar documents
A. E. Atamuratov, A. Abdikarimov, M. Khalilloev, Z. A. Atamuratova, R. Rahmanov, A. Garcia-Loureiro, A. Yusupov
 
Vol 3, No 3 (2012) Single-particle potentials for adsorbents with spherical and cylindrical geometry Abstract  similar documents
V. V. Zubkov, I. V. Grinev, V. M. Samsonov
"... The single-particle potentials for the different adsorbents with spherical and cylindrical ..."
 
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 4, No 3 (2013) Interatomic interaction in fcc metals Abstract  PDF (Eng)  similar documents
V. E. Zalizniak
"... The parameters of interatomic potential for 10 fcc metals are presented in this paper ..."
 
Vol 3, No 6 (2012) Interatomic interaction in bbc metals Abstract  similar documents
V. Zalizniak
"... Parameters of interatomic potential for 10 bcc metals are presented in this paper. The potential ..."
 
Vol 7, No 2 (2016): Special Issue Boundary triples for Schrӧdinger operators with singular interactions on hypersurfaces Abstract  PDF (Eng)  similar documents
J. Behrndt, M. Langer, V. Lotoreichik
 
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
"... We studied a principal opportunity to develop a full–potential orbital–free method for modeling ..."
 
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
"... We investigate a system with attracting δ-potential located along a straight line in 3D. It has ..."
 
Vol 9, No 2 (2018) N wells at a circle. Splitting of lower eigenvalues Abstract  PDF (Eng)  similar documents
T. F. Pankratova
"... A stationary Schrodinger operator on¨ R2 with a potential V having N nondegenerate minima which ..."
 
Vol 6, No 1 (2015) Tunneling in multidimensional wells Abstract  PDF (Eng)  similar documents
T. F. Pankratova
"... effect for a potential with two or more identical wells with sufficient accuracy. The procedure ..."
 
Vol 6, No 5 (2015) Waveguide bands for a system of macromolecules Abstract  PDF (Eng)  similar documents
V. M. Adamyan, I. V. Blinova, A. I. Popov, I. Yu. Popov
"... . Consideration is undertaken within the framework of a zero-range potentials model based on the theory of self ..."
 
Vol 8, No 1 (2017) Adiabatic cycles in quantum systems with contact interactions Abstract  PDF (Eng)  similar documents
A. Tanaka, T. Cheon
"... An adiabatic cycle involving the-function potential is shown to excite Bose particles confined ..."
 
Vol 3, No 5 (2012) Description of the dependence between the spall strength and strain rate for metals using Morse potential Abstract  similar documents
P. V. Tkachev, A. M. Krivtsov
"... . Simulation using particle dynamic method with Morse potential is carried out. The dependences of the spall ..."
 
Vol 6, No 3 (2015) Localized states near the Abrikosov vortex core in type-II superconductors within zero-range potential model Abstract  PDF (Eng)  similar documents
V. L. Kulinskii, D. Yu. Panchenko
"... be treated in terms of the generalized zero-range potential method when the magnetic field penetration depth ..."
 
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
"... . It is assumed that there are point-like potentials on the line. The scattering problem is solved ..."
 
Vol 9, No 2 (2018) Cyclic-periodic ZRP structures. Scattering problem for generalized Bloch functions and conductivity Abstract  PDF (Eng)  similar documents
S. Leble
"... is formulated. The results are used for formulating the zero range potential (ZRP) conditions for arbitrary ..."
 
Vol 6, No 3 (2015) Synthesis of silver nanoparticles in DMSO solutions of starch: a comparative investigation of native and soluble starches Abstract  PDF (Eng)  similar documents
N. E. Kochkina, O. A. Skobeleva, Yu. V. Khokhlova
"... with Dm=37.2 nm were formed in the soluble starch solution. On the basis of zeta potential measurements ..."
 
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
"... are described by potentials obtained by the embedded atom method. The calculation data are shown that simulated ..."
 
Vol 8, No 1 (2017) Accelerated dynamics in adiabatically-tunable asymmetric double-well potential Abstract  PDF (Eng)  similar documents
I. Setiawan, B. E. Gunara, J. S. Kosasih, K. Nakamura
"... with a parameter-dependent asymmetric double-well potential which has no scale invariance, and obtain ..."
 
Vol 14, No 5 (2023) On the discrete spectrum of the Schrödinger operator using the 2+1 fermionic trimer on the lattice Abstract  PDF (Eng)  similar documents
A. M. Khalkhuzhaev, I. A. Khujamiyorov
"... m = 1=  < 1), interacting via pair of repulsive contact potentials > 0 on a three-dimensional ..."
 
Vol 15, No 4 (2024) The point spectrum of the three-particle Schr ¨odinger operator for a system comprising two identical bosons and one fermion on Z. Abstract  PDF (Eng)  similar documents
Z. I. Muminov, V. U. Aktamova
"... potentials. We investigate the point spectrum of the three-particle discrete Schrödinger operator H(K), K ∈ T ..."
 
Vol 2, No 2 (2011) Stability of 2D triangular lattice under finite biaxial strain Abstract  PDF (Eng)  similar documents
E. A. Podolskaya, A. yu. Panchenko, A. M. Krivtsov
"... interact by pair force central potential. Dynamic stability criterion is used: frequency of elastic waves ..."
 
Vol 3, No 2 (2012) Structure and electrets properties of polypropylene films with amorphous dioxide of silicon Abstract  similar documents
A. V. Smirnov, B. A. Fedorov, D. E. Temnov, E. E. Fomicheva
 
Vol 2, No 3 (2011) Influence of shear strain on stability of 2D triangular lattice Abstract  PDF (Eng)  similar documents
E. A. Podolskaya, A. Yu. Panchenko, K. S. Bukovskaya
"... is considered infinite and consisting of particles which interact by pair force central potential. Dynamic ..."
 
Vol 2, No 4 (2011) Threshold eigenfunctions and threshold resonances of some relativistic operators Abstract  PDF (Eng)  similar documents
Y. Saitō, T. Umeda
 
Vol 6, No 1 (2015) Thermally induced transitions and minimum energy paths for magnetic systems Abstract  PDF (Eng)  similar documents
E. V. Alexandrov
 
Vol 13, No 3 (2022) Influence of dissipative tunneling on the photodielectric effect associated with the excitation of impurity complexes A+ + e in a quasi-zero-dimensional structure Abstract  PDF (Eng)  similar documents
V. D. Krevchik, A. V. Razumov, M. B. Semenov, A. V. Levashov, A. V. Shorokhov
"... in a quasi-zero-dimensional structure, has been studied in the zero-radius potential model in the one ..."
 
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 6, No 2 (2015) Universality of the discrete spectrum asymptotics of the three-particle Schrödinger operator on a lattice Abstract  PDF (Eng)  similar documents
M. I. Muminov, T. H. Rasulov
"... range potentials. We find a finite set Λ ⊂ T3 such that for all values of the total quasi-momentum K ∈ Λ ..."
 
Vol 6, No 2 (2015) Perturbative hydrodynamic Gross-Pitaevskii treatment for Bose-Einstein condensate in infinite length ring with disorder Abstract  PDF (Eng)  similar documents
D. B. Abdullaev, B. Abdullaev, M. M. Musakhanov
"... . The external disorder potential is considered as a small parameter in this approach. We have derived ..."
 
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