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111.
自由电子激光振荡器的二维数值模拟 总被引:2,自引:2,他引:0
在柱二维坐标系中,用数值计算方法求解了摇摆器内电子模拟方程组、光场方程组和无源区(不含摇摆器区)经非自适应方法变换后的无源旁轴波动方程并设计了相应的程序R_2D。用该程序计算的数值结果表明,在有源条件下二维数值模拟结果与高斯光束近似下的数值模拟结果符合较好;取完全相同的计算条件R-2D程序与洛斯阿拉莫斯实验室(LANL)的FELEX程序的计算结果符合较好;初步认为LANL实验数据的物理图象合理,数值结果基本可信;最后给出北京自由电子激光器(BFEL)的一些物理数据。 相似文献
112.
L. J. Yamí n S. E. Blanco J. M. Luco F. H. Ferretti 《Journal of Molecular Structure》1997,390(1-3):209-215
The isomerization mechanism of 2′(OH)chalcone (1) in flavanone (2) was studied. The calculations were performed with the semiempirical method AM1, using totally optimized molecular geometries. A 6-step mechanism including several equilibrium states was proposed. It was concluded that: (a) At the conformational equilibrium of 1 there could be 43.9% of s-cis conformer; (b) The acid dissociation of 1 trans-s-trans is considerable; (c) The EE, ΔHf and net charges show that the rotation of ring A of 1 and the formation of ring C of 2 occurs without greater impairments; (d) Although the keto structure is the most stable one, the enolate of 2 is present in the reaction medium; (e) The conversion of enol of 2 in the keto form would be the limiting step of the analyzed isomerization rate. 相似文献
113.
This Review discusses the synthesis and characterization by our Group of new antibiotics belonging to the class of penicillins, cephalosporins and rifamycins with ferrocenyl and 1, 1′-ferrocenilene residues in the molecule. As reactants for 6-aminopenicillanic acid (6-APA) and 7-aminocephalosporanic acid (7-ACA) the following were used: 1, 1-bis(chlorocarbonyl)ferrocene, ferrocenyl sulfochloride, 1, 1′-ferrocenylenedisulfochloride and thioglycolic acids S-modified with ferrocene. In the synthesis of rifamycins, the hydrazides of the thioglycolic acids, S-modified with ferrocene, were employed as nucleophilic agents. The synthesized intermediates were characterized by elemental analysis, TLC, IR, UV and 1H NMR spectra. The characterization of new antibiotics was made by TLC, IR and UV spectral analysis. Biological activity was tested on Gram-negative and Gram-positive bacteria. Good activity is reported towards Gram-positive bacteria in the case of derivatives containing residues of thioglycolic acid S-modified with ferrocene, the antibacterial activity being similar to that of amoxicillin, carbenicillin and cephalothin. All compounds are inactive towards Gram-negative bacteria. 相似文献
114.
Electric fields of the anions, cations and neutral forms of 2-aminopurine and 6-thioguanine have been mapped. Certain important
features of the maps are similar to those found earlier in the neutral and ionic forms of adenine and guanine. The computed
electric field patterns satisfactorily explain reactive sites and biological activity of the molecules. 相似文献
115.
116.
Polyethyleneimine (PEIM) samples crosslinked by a commercial epoxy resin (Epon 828) were prepared, and their adsorption capacity for acidic gases was studied. The swelling and deswelling characteristics of the crosslinked samples were also examined as part of this program. Reactivation of these adsorbents could be carried out by heat, or by a combination of heat and treatment in dilute alkalies. 相似文献
117.
J. M. Pico C. P. Menaut J. Fernández J. L. Legido M. I. Paz Andrade 《Journal of solution chemistry》1991,20(1):115-124
Excess molar enthalpies hE at 25 and 35° C and atmospheric pressure, are reported for the binary mixtures formed by a 2-butanone and 2-pentanone with 1-chlorobutane, 1-chloropentane, 1-chlorohexane, or 1-chlorooctane. The hE values for all the mixtures are positive, increasing as the 1-chloroalkane length increases and as the ketone length decreases. Excess molar enthalpies depend slightly on the temperature. The experimental values together with those from the literature were used to calculate the interaction parameters for the Dang-Tassios version of the UNIFAC model.Communicated at the Festsymposium celebrating Dr. Henry V. Kehiaian's 60th birthday, Clermont-Ferrand, France, 17–18 May 1990. 相似文献
118.
阐述了紫外无机非线性光学晶体分子工程学探索方法的基本特点,具体分析深紫外无机非线性光学晶体硼铍酸锶(SBBO)以氟硼铍酸钾(KBBF)为主要参考晶体的分子设计方法,随后根据晶体结构研究、单晶培养、和非线性光学性能测定等实验结果讨论SBBO作为新型深紫外无机晶体的主要优点,即它既具有更短的紫外吸收边(接近155nm)和较大的非线性光学系数(d22(SBBO)=06×d22(BBO)=138pm/V),同时晶体无明显层状习性,并肯有良好的化学稳定性和机械性能 相似文献
119.
测量了Cr^4+,YAG、Cr^4+,Mg2SiO4晶体在室温和液氮温度下的荧光光谱,吸收光谱和激发态寿命,讨论了温度变化时,两种晶体中Cr^4+近红外辐射积分强度变化与激光发态寿命变化的关系,得出结论:在77K ̄300K范围内,Cr^4+的^3T2能级荧光辐射截面本身受温度影响不大,Cr^4+辐射荧光的变化,主要是由无辐射弛豫速率随温度变化而引起的。 相似文献
120.