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51.
Facile and Mild Synthesis and Characterization of Some New Diazo Dyes on the Basis of Schiff Bases in the Presence of Nanocrystalline Magnesium Oxide as a Base Catalyst under Solvent‐free Conditions 下载免费PDF全文
In this research, some new diazo dyes including Schiff base have been synthesized by the condensation reaction between ethylenediamine and derivatives of salicylaldehyde containing diazo functional groups in the presence of nanocrystalline magnesium oxide as a solid base catalyst under solvent‐free conditions. Nanocrystalline magnesium oxide has been characterized by XRD, BJH and TEM techniques. The corresponding products have been obtained in excellent yields and high purity. All of the obtained diazo‐Schiff bases are highly colored and can be applicable as useful diazo dyes and characterized by spectroscopy data. 相似文献
52.
Chemoselective Route for Synthesis of N‐Aryl‐3‐oxochromeno[2,3‐c]pyrazole‐2(3H)‐carbothioamide Derivatives 下载免费PDF全文
A chemoselective route for the synthesis of chromeno[2,3‐c]pyrazole‐2(3H)‐carbothioamide derivatives by a five‐component reaction of salicylaldehyde, malononitrile, NH2NH2?H2O, aryl isothiocyanate, and H2O in EtOH/AcOH mixture is reported. This new protocol has the advantages of high yields, short reaction times, ease of operation, and simple purification. All structures were confirmed by IR, 1H‐ and 13C‐NMR, and MS analyses. A plausible mechanism for this type of reaction is proposed (Scheme 2). 相似文献
53.
A new scheme, called "list of nonredundant bonds", is presented to record the number of bonds and their positions for the atoms involved in Kekulé valence structures of (poly)cyclic conjugated systems. Based on this scheme, a recursive algorithm for generating Kekulé valence structures has been developed and implemented. The method is general and applicable for all kinds of (poly)cyclic conjugated systems including fullerenes. The application of the algorithm in generating Valence Bond (VB) wave functions, in terms of Kekulé valence structures, is discussed and illustrated in actual VB calculations. Two types of VBSCF calculations, one involving Kekulé valence structures only and the second one involving all covalent VB structures, were performed for benzene, pentalene, benzocyclobutadiene, and naphthalene. Both strictly local and delocalised p-orbitals were used in these calculations. Our results show that, when the orbitals are restricted to their own atoms, other VB structures (Dewar structures) also have a significant contribution in the VB wave function. When removing this restriction, the other VB structures (Dewar and also the ionic structures) are accommodated in the Kekulé valence structures, automatically. Therefore, at VBSCF delocal level, the ground states of these systems can be described almost quantitatively by considering Kekulé valence structures only at a considerable saving of time. 相似文献
54.
We report the direct electrochemistry of cytochrome c at screen printed graphite electrodes which exhibits quasi-reversible voltammetric responses without the need for any chemical or electrochemical pre-treatment, use of mediators or nanomaterials. Through voltammetric studies and X-ray photoelectron spectroscopy (XPS) it is shown that carbonyl and carboxylic surface oxygenated species likely residing at edge plane like- sites/defects of the graphite comprising the screen printed electrodes are responsible for the favourable interaction of the cytochrome c with that of the screen printed electrochemical sensing platform. 相似文献
55.
Humayun Ajaz Sajjad Hussain Muhammad Altaf Helen Stoeckli‐Evans Anvarhusein A. Isab Rashid Mahmood Shahnila Altaf Saeed Ahmad 《中国化学》2011,29(2):254-258
Antimony(III) complexes of thioamides [thioamides=thiourea (Tu), N,N′‐dimethylthiourea (Dmtu), tetramethylthiourea (Tmtu), imidazolidine‐2‐thione (Imt) and diazinane‐2‐thione (Diaz)] with the general formulae, Sb(thione)nCl3 (n=1, 2, 2.5, 3) were prepared and characterized by elemental analysis, IR and NMR (1H, 13C) spectroscopic methods. The spectral data of the complexes are consistent with the coordination of the thiones to antimony(III). The crystal structure of one of them, {[Sb(Imt)2Cl2]2(μ2‐Imt)}Cl2 ( 1 ), was determined by X‐ray crystallography, which shows that the complex is dinuclear consisting of two [Sb(Imt)2Cl2] units bridged by an Imt molecule. In 1 , the antimony atom is bonded to two chlorine atoms, two sulfur atoms of coordinated Imt molecules and one sulfur atom of a bridging Imt molecule. The antimony environment can be considered to be distorted octahedral with one Cl? ion weakly bound to antimony. 相似文献
56.
Dengue fever is one of the most dangerous vector‐borne diseases in the world in terms of death and economic cost. Hence, the modeling of dengue fever is of great significance to understand the dynamics of dengue. In this paper, we extend dengue disease transmission models by including transmit vaccinated class, in which a portion of recovered individual loses immunity and moves to the susceptibles with limited immunity and hence a less transmission probability. We obtain the threshold dynamics governed by the basic reproduction number R0; it is shown that the disease‐free equilibrium is locally asymptotically stable if R0 ≤ 1, and the system is uniformly persistence if R0 > 1. We do sensitivity analysis in order to identify the key factors that greatly affect the dengue infection, and the partial rank correlation coefficient (PRCC) values for R0 shows that the bitting rate is the most effective in lowering dengue new infections, and moreover, control of mosquito size plays an essential role in reducing equilibrium level of dengue infection. Hence, the public are highly suggested to control population size of mosquitoes and to use mosquito nets. By formulating the control objective, associated with the low infection and costs, we propose an optimal control question. By the application of optimal control theory, we analyze the existence of optimal control and obtain necessary conditions for optimal controls. Numerical simulations are carried out to show the effectiveness of control strategies; these simulations recommended that control measures such as protection from mosquito bites and mosquito eradication strategies effectively control and eradicate the dengue infections during the whole epidemic. 相似文献
57.
An analysis of quasiparticle correlations with special emphasis on transition matrix elements have been done for a self-consistent
cranking model. It is pointed out that a second order of the boson representation of a transition operator leads to a signature
dependence of transition probabilities between excited one-phonon states in even-even nuclei. Moreover, it brings about the
new contribution to an expectation value of electromagnetic moments in the yrast line states of deformed nuclei. 相似文献
58.
A method is described for the determination of 10–100 nmole of methanal and 20–150 nmole of ethanal and propanal. The method is based on the oxidation of aldehydes to the corresponding acids by mercuric ion which in turn is reduced to elemental mercury, followed by cold-vapour atomic absorption spectrometry. Calibration plots were constructed between the concentration of each aldehyde and absorbance, while the calibration from the conventional cold vapour procedure was used for total aldehydes determination. The method is selective and can be used for aldehyde determination in the presence of ketones, acetals, alcohols, acids, esters, ethers, organic chlorides and epoxides. This simple method is characterised by 98–102% recoveries and standard deviations of 3%. 相似文献
59.
The paramagnetic resonance absorption spectrum of the OD radical in the excited vibrational levels up to v = 5 of the ground , state has been observed at X-band frequencies. The theory of the Zeeman effect of a paramagnetic 2Π state of a light diatomic molecule has been applied to analyze the spectrum. The Λ-doubling frequencies, the molecular g factors, coefficients of the second order Zeeman effect, and the hyperfine interaction constants were determined for each of the vibrational levels. The experimental results agree reasonably well with the values calculated from (a) optical data and (b) ab initio data. The experimental determinations are still much better than theoretical calculations. 相似文献
60.
Using the Multi-Configuration Dirac-Fock (MCDF) method we calculate with 9 configuration state functions the correlation energy as well as the total energy of the lowestJ=0 ground state of all two-electron systems from H? to Thorium (Z=90). A comparison with experimental data, which are available only in the lowZ region, shows a very good agreement. 相似文献