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121.
122.
We study the origin of the cooperative nature of spin crossover (SC) between low-spin and high-spin (HS) states from the viewpoint of elastic interactions among molecules. As the size of each molecule changes depending on its spin state, the elastic interaction among the lattice distortions provides the cooperative interaction of the spin states. We develop a simple model of SC with intra and intermolecular potentials which accounts for the elastic interaction including the effect of the inhomogeneity of the spin states and apply constant temperature molecular dynamics based on the Nosé-Hoover formalism. We demonstrate that, with increase of the strength of the intermolecular interactions, the temperature dependence of the HS component changes from a gradual crossover to a first-order transition. 相似文献
123.
Two sensitive, selective, economic, and validated spectrofluorimetric methods were developed for the determination of ebastine
(EBS) in pharmaceutical preparations depending on reaction with its tertiary amino group. Method I involves condensation of
the drug with mixed anhydrides (citric and acetic anhydrides) producing a product with intense fluorescence, which was measured
at 496 nm after excitation at 388 nm. 相似文献
124.
Kamel Hooman Alireza Pourshaghaghy Arash Ejlali 《应用数学和力学(英文版)》2006,27(5):617-626
The viscous dissipation effect on forced convection in a porous saturated circular tube with an isoflux wall is investigated on the basis of the Brinkman flow model. For the thermally developing region, a numerical study is reported while a perturbation analysis is presented to find expressions for the temperature profile and the Nusselt number for the fully developed region. The fully developed Nusselt number found by numerical solution for the developing region is compared with that of asymptotic analysis and a good degree of agreement is observed. 相似文献
125.
Sami Kallel Ammar NasriNabil Kallel Hedi RahmouniOctavio Peña Kamel KhirouniMohamed Oumezzine 《Physica B: Condensed Matter》2011,406(11):2172-2176
The transport properties of Nd-doped perovskite materials (La0.7−xNdx)Sr0.3Mn0.7Cr0.3O3 (x≤0.30) were investigated using impedance spectroscopy techniques over a wide range of temperatures and frequencies. AC conductance analyses indicate that the conduction mechanism is strongly dependent on temperature and frequency. The DC conductance plots can be described using the small polaron hopping (SPH) model, with an apparent reduction of the polaron activation energy below the Curie temperature TC. Complex impedance plots exhibit semicircular arcs described by an electrical equivalent circuit. Off-centered semicircular impedance plots show that the Nd-doped compounds obey to a non-Debye relaxation process. The conductivity of grains and grain-boundaries has been estimated. The activation energies calculated from the conductance and from time relaxation analyses are comparable. This indicates that the same type of charge carriers is responsible for both the electrical conduction and relaxation phenomena. 相似文献
126.
Kamel A Jeanville P Colizza K J-Rivera LE 《Journal of the American Society for Mass Spectrometry》2008,19(11):1579-1589
The role of propionitrile in the production of [M+H]+ under atmospheric pressure photoionization (APPI) was investigated. In dopant-assisted APPI using acetone and anisole, protonated acetone and anisole radical cations were the most prominent ions observed. In dopant-free or direct APPI in acetonitrile, however, a major ion in acetonitrile was detected and identified as propionitrile, using high accuracy mass measurement and collision induced dissociation studies. Vaporizing ca. 10(-5) M althiazide and bendroflumethazide under direct APPI in acetonitrile produced their corresponding protonated species [M+H]+. In addition to protonated acetonitrile, its dimers, and acetonitrile/water clusters, protonated propionitrile, propionitrile dimer, and propionitrile/water clusters were also observed. The role of propionitrile, an impurity in acetonitrile and/or a possible product of ion-molecule reaction, in the production of [M+H]+ of althiazide and bendroflumethazide was further investigated in the absence of dopant using propionitrile-d5. The formation of [M+D]+ species was observed, suggesting a possible role of propionitrile in the protonation process. Additionally, an increase in the [M+H]+ signal of althiazide and bendroflumethazide was observed as a function of propionitrile concentration in acetonitrile. Theoretical data from the literature supported the assumption that one possible mechanism, among others, for the formation of [M+H]+ could be attributed to photo-initiated isomerization of propionitrile. The most stable isomers of propionitrile, based on their calculated ionization energy (IE) and relative energy (DeltaE), were assumed to undergo proton transfer to the analytes, and mechanisms were proposed. 相似文献
127.
Ali Ourari Kamel Ouari Wahiba Moumeni Lakhdar Sibous Gilles M. Bouet Mustayeen A. Khan 《Transition Metal Chemistry》2006,31(2):169-175
Salicylaldehyde or 5-bromosalicylaldehyde reacted with 2,3-diaminophenol in absolute EtOH in a 2:1 molar ratio to give new
unsymmetrical Schiff bases (H2L). The bases were used as ligands to coordinate Mn(III), Ni(II) and Cu(II) chlorides leading to [MnIIIClL] · EtOH and [MIIL] or [MIIL] · 2H2O (M = Ni or Cu) complexes. Their structures were determined using mass spectroscopy, IR, u.v.–vis and 1H-n.m.r. The cyclic voltammetry in acetonitrile showed irreversible waves for both ligands. Under the same experimental conditions,
the complexes exhibited mainly the non-reversible reduction of the Ni(II) or Cu(II) ion to Ni(0) or Cu(0), while the reduction
of Mn(III) to Mn(II) was found to be a quite reversible phenomenon. 相似文献
128.
The present paper reports the synthesis, crystal structure, 13C and 111Cd cross-polarization magic-angle spinning nuclear magnetic resonance(CP-MAS-NMR) analysis and ac conductivity for a new organic–inorganic hybrid salt, [C7H12N2][CdCl4]. The compound crystallizes in the triclinic system, space group P\( \overline 1 \), with unit cell dimensions: a?=?7.1050(3) Å, b?=?8.9579(3) Å, c?=?9.4482(3) Å, α?=?81.415(1)°, β?=?89.710(2)°, γ?=?85.765(1)°, V?=?592.97(4) Å3, and Z?=?2. The asymmetric unit is composed of one-2,4-diammonium toluene cation and one [CdCl4]2? anion. The Cd atom is in a slightly distorted octahedra coordination environment. Its structure can be described by infinite chains of CdCl6 octahedron linked to organic cations by a strong charge-assisted N–H???Cl interactions in order to build organic–inorganic layers staked along \( \left[ {0\overline 1 1} \right] \) direction. The solid state 13C CP-MAS-NMR spectra has shown seven isotropic resonances, confirming the existence of seven non-equivalent carbon atoms, which is consistent with crystal structure determined by X-ray diffraction. As for 111Cd MAS-NMR, it has shown one cadmium site with isotropic chemical shift observed at 167.2 ppm. The complex impedance of the compound has been investigated in the temperature range of 403–460 K and in the frequency range of 200 Hz–5 MHz. The impedance plots have shown semicircle arcs at different temperatures and an electrical equivalent circuit has been proposed to explain the impedance results. The circuits consist of the parallel combination of bulk resistance R p and constant phase elements. 相似文献
129.
Abdellatif Mamanou Fethi Khelfaoui Kamel Edinne Aiadi 《Optical and Quantum Electronics》2014,46(1):235-245
In this paper, a number of polymeric waveguide structures have been analyzed by using two distinct techniques which are: effective index method (EIM) and numerical simulation based on finite difference method (FDM). The main aim of this investigation is the calculation of effective indexes (EI) of the following structures: rib, ridge and buried channel waveguides at telecom wavelength $\lambda =1.55\,\upmu \hbox {m}$ for different dimensions of waveguide cores varying from 1.5–4 $\upmu \hbox {m}$ . Moreover, other optical propagation characteristics such as: confinement factor, normalized and propagation constant have been studied in TE polarisation. Otherwise the effect of the structure parameters and dimensions on the dispersion characteristics has been investigated. On the other hand, the optical field distribution has been computed using commercial software named OlympIOs. The polymers applied in the design of waveguide structures are the PVCi (n = 1,562 $\lambda = {1.55}\,\upmu $ m) used as core layer and the PMATRIFE (n = 1,409 $\lambda = 1.55\,\upmu $ m) used as substrate or cladding layer. The results obtained using EIM and simulation based on FDM show that effective index and field confinement factor of TE fundamental mode increase monotonously with the increasing dimension of core. The obtained results are in good agreement with published data based on other numerical methods. 相似文献
130.
Nicolas Passilly Elyes Haouas Vivien Mnard Richard Moncorg Kamel A
t-Ameur 《Optics Communications》2006,260(2):703-707
An experiment has been performed for measuring a nonlinear refractive index that is due to the polarizability difference ΔP between excited (4T2) and ground (4A2) states in a Cr3+:LiSAF crystal at λ = 647 nm. The latter one is responsible for a population lensing effect which has been monitored by using the eclipsing Z-scan technique. We have performed a data analysis that allows to distinguish between thermal and population contributions to the lensing effect. We have found ΔP = 4.6 × 10−25 cm3 which is in a good agreement with our previous measurements with a different technique. 相似文献