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11.
Yu. V. Mironov S. F. Solodovnikov V. E. Fedorov Yu. V. Gatilov 《Journal of Structural Chemistry》2004,45(5):874-878
The reaction of a water solution of K4Re6Te8(CN)6 with a solution of Mn(NO3)2 in 0.02M hydrochloric acid in the presence of DMF gave crystals of a cluster rhenium complex [{ Mn(H2O)2(DMF)}2Re6Te8(CN)6]·2H2O. The structure of the compound was determined by single crystal X-ray diffraction (a = 12.6679(9) Å, b = 17.4524(12) Å, c = 9.7882(6) Å, β = 105.570(6)°, V = 2084.6(3) Å3, Z = 2, space group P21/n, R = 0. 0389). In the complex, the [Re6Te8(CN)6]4− cluster anions are linked to Mn2+ cations by the cyanide bridges, the manganese cations being additionally coordinated by the DMF molecule and two water molecules. The neighboring clusters are joined by Re-C-N-Mn bridges into a three-dimensional framework possessing cavities filled with doubly disordered water molecules.Original Russian Text Copyright © 2004 by Yu. V. Mironov, S. F. Solodovnikov, V. E. Fedorov, and Yu. V. Gatilov__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 5, pp. 918–922, September–October, 2004. 相似文献
12.
The mutual influence of SO2 and Cl2 during their consecutive chemisorption on the In2O3 surface has been investigated. It was found that SO2 is chemisorbed in the uncharged form, and the amount of chemisorption decreases as the temperature increases. The preliminary chemisorption of Cl2 results in a dramatic decrease in the amount of SO2 sorbed and in a change in the character of the bonding of SO2 with the oxide surface. When SO2 is sorbed first, the temperature of the formation of chlorides during subsequent chemisorption of Cl2 decreases.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 10, pp. 1718–1721, October, 1994. 相似文献
13.
利用吡啶吸附-IR,NH3吸附-脱附,原位热重积炭,DSC等技术并结合甲基环己烷(MCH)脱氢活性试验,研究了K2O对工业Pt-Sn/Al2O3催化剂的表面酸性及MCH脱氢稳定性的影响,结果表明,K2O能有效地调变催化剂的表面酸性,降低其表面酸中心特别是强酸中心的数目;MCH脱氢反应的积炭量随K2O含量的增加而减少,但催化剂的高温脱氢稳定性与K2O含量并不完全呈顺变关系,K2O含量应严格控制,当K 相似文献
14.
de Oliveira Neto Marçal Pires José M. Giambiagi Mario de Giambiagi Myriam Segre Alvarez Fernando A. 《Structural chemistry》1998,9(5):339-348
Electronic properties of lamotrigine (LTG) and two analogues (A1 and A2) are compared through MOPAC-AM1 calculations. Two stable conformers of LTG are calculated to exist in agreement with X-ray crystallography. In the three compounds and the two conformers for each of them, the more favorable protonation sites are N2 and N4; these should then be the sites appropriate for interaction with a receptor, and group valence reinforces the supposition. The molecular electrostatic potentials show that a region between the two chlorine atoms in LTG could be the site for an electrostatic interaction with a corresponding site in the receptor. The fluorine atom in A1 would play an equivalent role. A simple model for LTG-receptor interaction is proposed. 相似文献
15.
Solid state M-4-Me-BP compounds, where M stands for bivalent Mn, Fe, Co, Ni, Cu, Zn, Pb and 4-Me-BP is 4-methylbenzylidenepyruvate, have been synthesized. Simultaneous thermogravimetry-differential thermal analysis (TG-DTA), differential scanning calorimetry (DSC), X-ray powder diffractometry, infrared spectroscopy, elemental analysis, and complexometry were used to characterise and to study the thermal behaviour of these compounds. The results led to information about the composition, dehydration, thermal stability and thermal decomposition of the isolated complexes. 相似文献
16.
17.
In Situ IR Spectroscopic Studies on Molybdenum Nitride Catalysts: Active Sites and Surface Reactions
Recent IR spectroscopic studies on the surface properties of fresh Mo2N/-Al2O3 catalyst are presented in this paper. The surface sites of fresh Mo2N/-Al2O3, both Mo+ (0<<2) and N sites, are probed by CO adsorption. Two characteristic IR bands were observed at 2045 and 2200 cm-1, due to linearly adsorbed CO on Mo and N sites, respectively. The surface N sites are highly reactive and can react with adsorbed CO to form NCO species. Unlike adsorbed CO on reduced passivated one, the adsorbed CO on fresh Mo2N/-Al2O3 behaves similarly to that of group VIII metals, suggesting that fresh nitride resembles noble metals. It is found that the surface of Mo nitrides slowly transformed into sulfide under hydrotreating conditions, which could be the main reason for the activity drop of molybdenum nitride catalysts in the presence of sulfur-containing species. Some surface reactions, such as selective hydrogenation of 1,3-butadiene, isomerization of 1-butene, and hydrodesulfurization of thiophene, were studied on both fresh and reduced passivated Mo2N/-Al2O3 catalysts using IR spectroscopy. The mechanisms of these reactions are proposed. The adsorption and reaction behaviors of these molecules on fresh molybdenum nitride also resemble those on noble metals, manifesting the unique properties of fresh molybdenum nitride catalysts. Mo and N sites are found to play different roles in the adsorption and catalytic reactions on the fresh Mo2N/-Al2O3 catalyst. Generally, Mo sites are the main active sites for the adsorption and reactions of adsorbates; N sites are not directly involved in catalytic reactions but they modify the electronic properties of Mo sites. 相似文献
18.
WU Jin-Gang LI Shu-BenState Key laboratory of Oxo Synthesis Selective Oxidation Ijmzhau Institute of Chemical Physics Academa Smica Lanzhou Gansu 《天然气化学杂志》1995,(1)
EPR and Raman spectroscopy have been used to characterize the catalyst. F-centers with EPR parameter of g=2. 0046 form when gas phase oxygen is admitted onto the catalyst reduced with methane at 800℃- Molecular oxygen plays an induced role in the electron transfer from W4 to the oxygen ion vacancy which is produced by methane reduction. Raman spectra give the further evidence for the production of lattice oxygen from molecular oxygen. 相似文献
19.
Richard E. Shute David E. Jackson Barrie W. Bycroft 《Journal of computer-aided molecular design》1989,3(2):149-164
Summary The halogenated 6-spiroepoxypenicillins are a series of novel semisynthetic-lactam compounds with highly conformationally restricted side chains incorporating an epoxide. Their biological activity profiles depend crucially on the configuration at position C-3 of that epoxide. In derivatives with aromatic-containing side chains, e.g., anilide, the 3R-compounds possess notable Gram-positive antibacterial activity and potent-lactamase inhibitory properties. The comparable 3S-compounds are antibacterially inactive, but retain-lactamase inhibitory activity.Using the molecular simulation programs COSMIC and ASTRAL, we attempted to map a putative, lipophilic accessory binding site on the PBPs that must interact with the side-chain aromatic residue. Comparative computer-assisted modelling of the 3R, and 3S-anilides, along with benzylpenicillin, indicated that the available conformational space at room temperature for the side chains of the 3R and the 3S-anilides was mutually exclusive. The conformational space for the more flexible benzylpenicillin could accommodate the side chains ofboth the constrained penicillin derivatives. By a combination of van der Waals surface calculations and a pharmacophoric distance approach, closely coincident conformers of the 3R-anilide and benzylpenicillin were identified. These conformers must be related to the antibacterial, bioactive conformer for the classical-lactam antibiotics. From these proposed bioactive conformations, a model for the binding of benzylpenicillin to the PBPs relating the three-dimensional arrangement of a putative lipophilic S2-subsite, specific for the side-chain aromatic moiety, and the 3-carboxylate functionality is presented.This work has been reported in preliminary form at the 4th Royal Society of Chemistry International Symposium on Recent Advances in the Chemistry of-lactam Antibiotics, Churchill College, Cambridge, U.K., 3–6 July 1988. 相似文献
20.
The interaction of dimethyltin dichloride (Me2SnCl2) with calf thymus DNA was studied at 27 °C, pH 7.6 using various techniques including isothermal titration calorimetry (ITC) and UV-Vis, fluorescence and IR spectrophotometries. The binding isotherm and enthalpy curve for Me2SnCl2-DNA interaction was a biphasic transition process. This was determined by the analysis of the binding data with the Hill equation. The first phase of the enthalpy curve (exothermic process) was consistent with the first set of binding site, the second phase (endothermic process, less exothermicity) was consistent with second set of binding site from the cited interactions. Our results showed that the first set of binding sites is occupied by one mole of ligand bound per near 1 base pair of DNA. The DNA-ethidium bromide (EB) complex, in the presence of Me2SnCl2, caused the quenching of the fluorescence emission. The Scatchard plots illustrated a non-intercalating manner for such quenching. The DNA-EB complex results indicated that the binding of Me2SnCl2 is with the phosphate groups of DNA at low ligand concentrations (<9 mM). This was confirmed with the IR spectrophotometric spectra. However, the binding at higher ligand concentrations (>9 mM) was with the base groups of DNA. Therefore, these results suggest that the Me2SnCl2 binding to DNA at low concentrations occurs through an outside interaction by an exothermic process. However, the partial unfolding of the DNA caused at higher concentrations of Me2SnCl2 is through an endothermic process involving interactions with the base groups. 相似文献