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1.
R. T. Galeev 《Physics of the Solid State》2016,58(6):1098-1100
The EPR spectra of a system of two coupled spins with strongly anisotropic g factors have been calculated. It has been shown that the spectra can exhibit an additional absorption line in the vicinity of the energy level anticrossing. The emergence of this line is caused by strengthening of the off-resonance absorption in the anticrossing region. 相似文献
2.
V. A. Drozdov P. G. Tsyrulnikov V. V. Popovskii N. N. Bulgakov E. M. Moroz T. G. Galeev 《Reaction Kinetics and Catalysis Letters》1985,27(2):425-427
Atomic catalytic activity of palladium has been revealed to be higher than that of platinum in deep oxidation of methane and lower in the case of butane. According to the experimental data and the quantum-chemical calculation, the observed effects are ascribed to the different bond strength of the surface oxygen due to different reaction conditions.
, Pd Pt, . Pd Pt - , .相似文献
3.
Galeev TR Romanescu C Li WL Wang LS Boldyrev AI 《The Journal of chemical physics》2011,135(10):104301
The structures and the electronic properties of two aluminum-doped boron clusters, AlB(7)(-) and AlB(8)(-), were investigated using photoelectron spectroscopy and ab initio calculations. The photoelectron spectra of AlB(7)(-) and AlB(8)(-) are both broad, suggesting significant geometry changes between the ground states of the anions and the neutrals. Unbiased global minimum searches were carried out and the calculated vertical electron detachment energies were used to compare with the experimental data. We found that the Al atom does not simply replace a B atom in the parent B(8)(-) and B(9)(-) planar clusters in AlB(7)(-) and AlB(8)(-). Instead, the global minima of the two doped-clusters are of umbrella shapes, featuring an Al atom interacting ionically with a hexagonal and heptagonal pyramidal B(7) (C(6v)) and B(8) (C(7v)) fragment, respectively. These unique umbrella-type structures are understood on the basis of the special stability of the quasi-planar B(7)(3-) and planar B(8)(2-) molecular wheels derived from double aromaticity. 相似文献
4.
N. M. Pozdeev A. Kh. Mamleev L. N. Gunderova R. V. Galeev G. R. Garipova V. I. Tyulin 《Journal of Structural Chemistry》1995,36(3):380-385
The microwave spectra of s-cis-glyoxal molecules in the excited states of torsional (vt=1,2) and bending (vbend=1) vibrations have been studied. For the vt=1 state, the rotational constants have been refined and the quartic constants of centrifugal distorition have been determined.
For the excited vt=2 and vbend=1 states, the rotational constants have found. For the ground vibrational state, the rotational constants and the quartic
constants of centrifugal distortion have been refined. The vibrational frequencies have been determined from the relative
intensities of rotational transitions.
Ufa Scientific Center of Russian Academy of Sciences, Physics Department. Translated fromZhurnal Strukturnoi Khimii, Vol. 36, No. 3, pp.418–423, May–June, 1995.
Translated by I. Izvekova 相似文献
5.
A. Kh. Mamleev R. V. Galeev L. N. Gunderova M. G. Faizullin A. A. Shapkin 《Journal of Structural Chemistry》2008,49(4):639-643
The microwave spectrum of 5-methyl-1,3-dioxane was studied in the frequency range 12–35 GHz. The a and c type rotation transitions with J≤30 were identified. The rotational constants A = 4658.5244(33) MHz, B = 2383.3930(12) MHz, and C = 1724.28907(88) MHz and the quartic constants of the centrifugal distortion of the molecule in the ground vibrational state were determined. The components of the dipole moment were found, μ a = 1.76 ± 0.01 D and μ c = 1.10 ± 0.01 D; the net dipole moment of the molecule is μ = 2.08 ± 0.01 D. 5-Methyl-1,3-dioxane was calculated by the B3PW91/aug-cc-pVDZ density functional theory method. The calculated data are compared with the experimental data. The most stable conformation is the chair conformation with an equatorial orientation of the methyl group. 相似文献
6.
A. A. Galeev N. M. Khasanova A. V. Bykov G. R. Bulka V. M. Vinokurov N. M. Nizamutdinov 《Applied magnetic resonance》1996,11(1):61-86
Dopant Fe3+ ions in tetrahedral and octahedral positions of Ge4+ in the crystal Li2Ge7O15 were studied using EPR. Fe3+ substitutes for Ge4+ with a local charge compensation. The octahedral site and the tetrahedral sites significantly differ by the value of the invariant sumS(B 4) of theB 4 tensor of the spin Hamiltonian of Fe3+. The irreducible tensor products {V 4 ? V 4}4 and {V 4?V 4}2 theV 4 tensor of the crystal field calculated using the point-charge model for octahedral and tetrahedral complexes provide the predominant contribution of the crystal field to theB 4 andB 2 tensors of the spin Hamiltonian of Fe3+, respectively. A comparison of the fourth-rank tensorsB 4 of the spin Hamiltonian and {V 4?V 4}4 of the crystal field determined at 300 K with those determined at 77 K supports the conclusion that the phase transition is accompanied by combined rotation of the [GeO4] tetrahedra with the [Ge(1)O6] octahedron almost unaltered. The spectrum lines are narrow and the variety of point defects in the vicinity of the paramagnetic impurity ions Fe3+, Cr3+ and Cu2+ is not detected. These facts are inconsistent with the statistically distributed model for the Li(2) atom. In specific cases at 300 K, when the wings of the two spectrum lines of theM→M+1 and theM+2 →M+3 transitions of Fe3+ ions belonging to one system of translationally equivalent positions overlap an extra line appears in the center between these lines. It is suggested that this effect is due to the soft phonon mode above the phase transition temperature. 相似文献
7.
R. A. Cherkasov A. R. Garifzyanov R. R. Galeev N. V. Kurnosova R. R. Davletshin S. V. Zakharov 《Russian Journal of General Chemistry》2011,81(7):1464-1469
The processes of membrane transport of ions of scandium(III), samarium(III), gadolinium(III), neodymium(III), aluminum(III),
and a number of alkali and alkaline earth metals through liquid membrane impregnated with aminophosphoryl carriers of different
structures were studied. Selectivity of bis (dialkylphosphinyl)amines towards scandium was found to be significantly higher
than the selectivity of diphosphinylpiperazine and monophosphinylamine in particular. The dependence of transfer efficiency
on the concentration of substrates and carriers was revealed. Optimal conditions for transporting rare and trace metal ions
through the membrane were found, and the mechanism of transmembrane transport was discussed. 相似文献
8.
U. M. Dzhemilev R. I. Khusnutdinov D. K. Galeev G. A. Tolstikov 《Russian Chemical Bulletin》1979,28(4):854-856
Conclusions Norbornene is dimerized in the presence of a nickel-containing catalytic system to give exo-2-(4-methylenecyclohex-1-en-3-yl)norbornane in 67% yield.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 4, pp. 910–913, April, 1979. 相似文献
9.
É. M. Galeev 《Mathematical Notes》1990,47(3):248-254
Translated from Matematicheskii Zametki, Vol. 47, No. 3, pp. 32–41, March, 1990. 相似文献
10.
Yu. I. Bogdanov R. F. Galeev S. P. Kulik G. A. Maslennikov E. V. Moreva 《JETP Letters》2005,82(3):164-168
A method for reconstructing an arbitrary quantum state of an optical system in Hilbert space with dimension d = 4 is discussed. Such states can be realized using a collinear frequency-nondegenerate regime of generating spontaneous parametric down-conversion. The method has been tested for a number of polarization states of a biphoton field. The high accuracy of the reconstruction of the states (above 99%) indicates that the procedures proposed for reconstructing the quantum state of the system are adequate. 相似文献