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排序方式: 共有115条查询结果,搜索用时 31 毫秒
1.
G. Vassilev F. Perales Ch. Miniatura J. Robert J. Reinhardt F. Vecchiocattivi J. Baudon 《Zeitschrift für Physik D Atoms, Molecules and Clusters》1990,17(2):101-107
A metastable hydrogen (deuterium) atom source in which groundstate atoms produced by a RF discharge dissociator are bombarded by electrons, provides a relatively large amount of slow metastable atoms (velocity 3–5 km/s). Total integral cross sections for H*(D*)(2s) + H2(X 1Σ g + ,v=0) collisions have been measured in a wide range of relative velocity (2,5–30 km/s), by using the attenuation method. A significant improvement of accuracy is obtained, with respect to previous measurements, at low relative velocities. Total cross sections for H* and D*, as functions of the relative velocity, are different, especially in the low velocity range. H* + H2 total differential cross sections have also been measured, with an angular spread of 3.6°, for two different collision energy distributions, centered respectively at 100 meV and 390 meV. A first attempt of theoretical analysis of the cross sections, by means of an optical potential, is presented. 相似文献
2.
This paper presents a detailed study of a water adlayer adsorbed on Pt(111) and Rh(111) surfaces using periodic density functional theory methods. The interaction between the metal surface and the water molecules is assessed from molecular dynamics simulation data and single point electronic structure calculations of selected configurations. It is argued that the electron bands around the Fermi level of the metal substrate extend over the water adlayer. As a consequence in the presence of the water layer the surface as a whole still maintains its metallic conductivity-a result of a crucial importance for understanding the process of electron transfer through the water/metal interface and electrochemical reactions in particular. Our results also indicate that there exists a weak bond between the hydrogen of the water and the Rh metal atoms as opposed to the widespread (classical) models based on purely repulsive interaction. This suggests that the commonly used classical interactions potentials adopted for large scale molecular dynamics simulations of water/metal interfaces may need revision. Two adsorption models of water on transition metals with the OH bonds pointing towards or away of the surface are also examined. It is shown that due to the very close values of their adsorption energies one should consider the real structure of water on the surface as a mixture of these simple "up" and "down" models. A model for the structure of the adsorbed water layer on Rh(111) is proposed in terms of statistical averages from molecular dynamics simulations. 相似文献
3.
Maria Atanassova Victoria Lachkova Nikolay Vassilev Sabi Varbanov Ivan Dukov 《Journal of inclusion phenomena and macrocyclic chemistry》2007,58(1-2):173-179
The synergistic solvent extraction of five selected lanthanoid ions (La3+, Nd3+, Eu3+, Ho3+ and Lu3+) with a 4-benzoyl-3-methyl-1-phenyl-5-pyrazolone(HP) and the 5,11,17,23-tert-butyl-25,26,27,28-tetrakis(dimethylphosphinoylmethoxy)calix[4]arene, (S) in CHCl3 has been studied. It was found that in presence of this phosphorus-containing calix[4]arene the lanthanoids have been extracted
as LnP3 · S. On the basis of the experimental data, the values of the equilibrium constants have been calculated. The influence of
the synergistic agent on the extraction process has been discussed. A synergistic effect of almost three orders of magnitude
occurs in the extraction of Ln(III) with mixture of HP and S. The values of the separation factors (S.F.) between the adjacent
elements have been evaluated.
On the basis of the IR and NMR spectra the stoichiometry and the structure of the solid complexes of Eu(III) with HP and Eu(III)
with HP and S were proposed. 相似文献
4.
T. Tsanov K. Vassilev R. Stamenova C. Tsvetanov 《Journal of polymer science. Part A, Polymer chemistry》1995,33(15):2623-2628
Radiation crosslinked poly(ethylene oxide)s (PEO) modified with two tetraalkylammonium salts: allyldimethyldodecylammonium bromide and ethylmethacrylate dimethyldodecylammonium bromide were prepared. They have been characterized by elemental analysis, IR, 1H-NMR spectra, and DSC measurements. Their activity as phase transfer catalysts (PTC) in the model displacement reaction of 1-bromooctane with aqueous sodium cyanide were studied. The reaction kinetics were followed under pseudo-first-order conditions. Small amounts of onium salt inserted into the PEO network gave rise to a five time increase in the rate constant. The recovered catalysts could be re-used without loss of activity. © 1995 John Wiley & Sons, Inc. 相似文献
5.
The phase diagram of the system Ag4SSe-SnTe is studied by means of X-ray diffraction, differential thermal and metallographic analyses and measurements of the microhardness and the density of the material. This diagram is divided into two eutectic-type subdiagrams by the composition Ag4SSe·2SnTe. The unit-cell parameters of the intermediate phases 3Ag4SSe·SnTe (phase A) and -Ag4SSe·2SnTe (phase B) are determined as follows: for phase A: a=0.7851 nm, b=0.7196 nm, c=0.6296 nm, =101.32°, =85.90°, =111.36°; for phase B: a=0.3662 nm, b=0.3303 nm, c=0.3343 nm, =90.74°, =108.94°, =91.91°. The phase Ag4SSe·2SnTe melts congruently at 615°C and a polymorphic transition of the phase takes place at T - =110°C.This revised version was published online in November 2005 with corrections to the Cover Date. 相似文献
6.
V. Vassilev L. Aljihmani V. Parvanova 《Journal of Thermal Analysis and Calorimetry》2006,85(2):309-314
The phase diagram of the system Ag4SSe–As2Se3 is studied by means of X-ray diffraction, differential thermal analyses and measurements of the microhardness and the density of the materials. The unit-cell parameters of the intermediate phases 3Ag4SSe·As2Se3 (phase A) and Ag4SSe·2As2Se3 (phase B) are determined as follows for phase A: a=4.495 Å, b=3.990 Å, c=4.042 Å, α=89.05°, β=108.98°, γ=92.93°; for phase B: a=4.463 Å, b=4.136 Å, c=3.752 Å, α=118.60°, β=104.46°, γ=83.14°. The phase 3Ag4SSe·As2Se3 and Ag4SSe·2As2Se3 have a polymorphic transition α?β consequently at 105 and 120°C. The phase A melts incongruently at 390°C and phase B congruently at the same temperature. 相似文献
7.
Jordanka Petrova Snejana Momchilova Nikolay G. Vassilev 《Phosphorus, sulfur, and silicon and the related elements》2013,188(1-4):45-52
Abstract The interaction of Li-diethylbenzylphosphonate 1-Li with aldehydes 2 is studied at different reaction conditions, the corresponding β-hydroxyethanephosphonate 3 being isolated. It is found that in these cases the aldol stage of the HWE reaction is not stereoselective or threo isomers predominate. The elimination stage leads only to trans-alkene due to the electron and steric influence of the substituents at the phosphorus atom. 相似文献
8.
G. P. Vassilev 《Crystal Research and Technology》1995,30(8):1155-1164
The interactions between YBa2Cu3O7-x and K2CO3 have been studied using thermochemical methods, isothermal annealing of diffusion pairs, optical microscopy, X-ray diffraction, and microprobe analyses. The experiments have shown existence of solubility of YBa2Cu3O7-x or its constituents in both solid and liquid K2CO3. The barium ions are preferably dissolved in K2CO3, whereas potassium cations do not enter massively into the bulk of the YBa2Cu3O7-x-phase. A eutectic-type phase diagram is supposed for the system K2CO3–YBa2Cu3O7-x. The so called “green phase” Y2BaCuO5 and a K–Cu–O compound have been found in the contact zone at 813 °C while a “black phase” layer with nominal composition Y1.6Cu2.8O5.4 has grown at 707 °C. 相似文献
9.
X-ray diffraction study of the fault formation in Ni Zn alloys is carried out. Approximative analyses are performed in order to distinguish the influences of the dispersity and the microdeformations. Correlation between the X-ray diffraction data and the free molar Gibbs energy is looked for. 相似文献
10.
The chalcopyrite n-type crystals have been grown from AgInS2 material having stoichiomtric Ag excess. The temperature dependence of the Hall effect in these crystals have been studied. The ionization energies of donors have been determined. The dependence of the photoconduction on the photon energy, the light intensity and the temperature in the n-AgInS2 crystals have been measured. The recombination model of photoconductor with one class of recombination centres has been proposed for explanation of the photoelectrical results. 相似文献