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31.
Yurij B. Kuz’ma Volodymyr Babizhetskyj Igor Veremchuk Nadija Chaban 《Journal of solid state chemistry》2004,177(2):425-430
New borides have been synthesized and their crystal structures have been determined using X-ray single-crystal methods, namely: Er0.917Ni4.09B, own structure type, space group P6/mmm, a=14.8399(3), c=6.9194(3) Å, RF=0.0545, and ErNi7B3, own structure type, space group I41/amd, a=7.6577(2), c=15.5798(5) Å, RF=0.0451. The relationship between these structures and the structure types of CeCo4B, Y0.915Ni4.12B and Sc4Ni29B10 has been discussed. 相似文献
32.
Chaban V 《Physical chemistry chemical physics : PCCP》2011,13(35):16055-16062
Based on classical molecular dynamics simulations, we discuss the impact of Coulombic interactions on a comprehensive set of properties of room temperature ionic liquids (RTILs) containing 1,3-dimethylimidazolium (MMIM(+)), N-butylpyridinium (BPY(+)), and bis(trifluoromethane sulfonyl)imide (TFSI(-)) ions. Ionic transport is found to be noticeably hindered by the excessive Coulombic energy, originating from the neglect of electronic polarization in the condensed phase of these RTILs. Starting from the models, recently suggested by Lopes and Padua, we show that realistic ionic dynamics can be achieved by the uniform scaling of electrostatic charges on all interaction sites. The original model systematically overestimates density and heat of vaporization of RTILs. Since density linearly depends on charge scaling, it is possible to use it as a convenient beacon to promptly derive a correct scaling factor. Based on the simulations of [BPY][TFSI] and [MMIM][TFSI] over a wide temperature range, we conclude that the suggested technique is feasible to greatly improve quality of the already existing non-polarizable FFs for RTILs. 相似文献
33.
Chaban T. I. Matiichuk Y. E. Matiychuk V. S. 《Russian Journal of General Chemistry》2020,90(7):1357-1361
Russian Journal of General Chemistry - A series of ethyl 4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1-aryl-1H-pyrazole-3-carboxylates was obtained as a result of the reaction of ethyl... 相似文献
34.
35.
I. A. Chaban 《Physics of the Solid State》2003,45(11):2099-2103
The effect of a magnetic field on two-level tunneling systems in dielectric glasses originates from the magnetic-field-induced rotation of nuclear spins and the ensuing rearrangement of ordered regions (clusters) in the glass structure. This process accounts for the observed variation of both the spontaneous-polarization echo amplitude and the dielectric constant in a magnetic field at low temperatures. The proposed theory is compared with experiment. 相似文献
36.
Phenomena occurring at the tip of a charged conducting jet are analyzed in detail using numerical methods developed for axially
symmetric flows. Universal mechanisms (independent of the method for producing the jet) for droplet formation with different
ratios of the Laplace and electrical pressures on the lateral surface are identified. An explanatory analysis is given for
all of the nonlinear stages of the classical Rayleigh instability of a charged conducting drop, beginning with the formation
of a jet at the surface of the drop and culminating in the generation of a developed jet of secondary droplets.
Zh. Tekh. Fiz. 69, 1–9 (November 1999) 相似文献
37.
M. V. Gorbunkov Yu. Ya. Maslova O. I. Chaban Yu. V. Shabalin 《Bulletin of the Lebedev Physics Institute》2009,36(5):150-156
We proposed a simple laser system that demonstrates the nonlinear dynamics typical for the logistic map: period doubling cascade, periodicity windows, intermittency, and deterministic chaos on the time scale of the cavity round trip. 相似文献
38.
V.M. Bondar V.V. Vladimirov V.P. Doskoch E.A. Chaban A.I. Schedrin 《Solid State Communications》1977,23(12):939-941
The drift mechanism of helical instability suppression (oscillistor) in electron-hole plasma Ge was, for the first time, investigated. It was found that in strong magnetic fields () due to anisotropy of mobility (μi ≠ μi⊥) the ambipolar drift of helical disturbances of density along the electric field occurs even in quasineutral plasma (n = p), provided μe ≠ μh. To corroborate the drift mechanism of oscillistor effect breakdown in strong fields the experiments were carried out under the conditions of uniaxial crystal deformation oriented towards 〈111〉 (H, E 〈111〉) resulting in the intervalley redistribution of electrons and additional anisotropy of mobility. Variation in the ambipolar drift velocity connected with the deformation influences essentially the conditions of the helical instability breakdown in strong fields. 相似文献
39.
V. I. Chaban 《Journal of Mathematical Sciences》1993,66(6):2647-2647
Newton's recursion formula for solving nonlinear equations of a 1-matrix (vector) argument is generalized to the case of a 2-matrix argument. The Jacobian 4-matrix of the system is introduced. At the k th recursion the computational process reduces to solving the system of linear algebraic equations obtained, whose order is determined by the number of elements of the 2-matrix argument.Translated fromMatematicheskie Metody i Fiziko-Mekhanicheskie Polya, Issue 34, 1991, pp. 99–100. 相似文献
40.
Chaban GM Gerber RB 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2002,58(4):887-898
Anharmonic vibrational frequencies and intensities are computed for hydrogen fluoride clusters (HF)n, with n = 3, 4 and mixed clusters of hydrogen fluoride with water (HF)n(H2O)n where n = 1, 2. For the (HF)4(H2O)4 complex, the vibrational spectra are calculated at the harmonic level, and anharmonic effects are estimated. Potential energy surfaces for these systems are obtained at the MP2/TZP level of electronic structure theory. Vibrational states are calculated from the potential surface points using the correlation-corrected vibrational self-consistent field method. The method accounts for the anharmonicities and couplings between all vibrational modes and provides fairly accurate anharmonic vibrational spectra that can be directly compared with experimental results without a need for empirical scaling. For (HF)n, good agreement is found with experimental data. This agreement shows that the M?ller-Plesset (MP2) potential surfaces for these systems are reasonably reliable. The accuracy is best for the stiff intramolecular modes, which indicates the validity of MP2 in describing coupling between intramolecular and intermolecular degrees of freedom. For (HF)n(H2O)n experimental results are unavailable. The computed intramolecular frequencies show a strong dependence on cluster size. Intensity features are predicted for future experiments. 相似文献