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961.
Barba-Bon A Costero AM Gil S Parra M Soto J Martínez-Máñez R Sancenón F 《Chemical communications (Cambridge, England)》2012,48(24):3000-3002
A new selective chromo-fluorogenic probe for Fe(3+), Cr(3+) and Al(3+) is reported. Detection limits are in the μM range and the fluorogenic sensing ability could be observed by the naked eye when illuminated with UV-light. No response is observed with divalent cations. 相似文献
962.
Controllable Release and High‐Efficiency Collection of Hydrogen Peroxide: Application on the Quantitative Investigation of Biomolecule Oxidation Induced by Reactive Oxygen Species 下载免费PDF全文
Hydrogen peroxide and hydroxyl radical, both important members of the reactive oxygen species (ROS) family, can cause serious oxidative damages in biological systems. In order to proclaim and prevent oxidation stress, researches on the biomolecule oxidation induced by H2O2 or OH. are in crucial need. However, due to the high reactivity of ROS, traditional methods are difficult to achieve the in situ quantitative investigations on those reactions involving ROS. In this work, using scanning electrochemical microscopy technique (SECM) in a tip generation‐substrate collection mode (TG‐SC), the controllable release and the high‐efficiency collection of electrogenerated H2O2 were achieved. Compared to ex situ fluorescence method, SECM improved the collection efficiency approximately two times larger. Based on it, SECM combined with surface plasmon resonance (SPR) was employed to in situ monitor the protein oxidation (taking Cu12+? MT as a model) induced by H2O2. OH., which was generated from the interaction between H2O2 and Cu12+? MT, can attack the peptide chain and induced the unrepairable protein oxidation damage. The whole process was quantitatively characterized by SPR, and the linear relationship between SPR dip shift and the amounts of released H2O2 was successfully built. Our work proves that the combined SECM‐SPR technique can realize the in situ quantitative determinations of the biomolecule oxidation induced by ROS, which affords an avenue for further elucidation on the mechanisms of oxidation stress in organisms. 相似文献
963.
采用基于密度泛函理论的第一性原理方法系统研究了Au与3d过渡元素构成的混合小团簇的结构、稳定性、电子结构及磁性,得到了Au与3d过渡元素构成的混合小团簇的稳定结构.计算结果表明,Au与3d元素可形成大量的低能异构体,特别是有些异构体在结构上极相近,这不同于共价或离子键类型的团簇.与纯过渡金属团簇类似,这类团簇也表现出复杂的磁性.过渡金属元素的磁矩相比体材料而言既有增强的、也有减弱的,与轨道的交换劈裂密切相关.对于基态构型,AuCr2,Au2Cr2关键词:
密度泛函理论
第一性原理方法
团簇
电子结构 相似文献
964.
965.
This paper presents a hybrid Trefftz (HT) boundary element method (BEM) by using two indirect techniques for mode III fracture
problems. Two Trefftz complete functions of Laplace equation for normal elements and a special purpose Trefftz function for
crack elements are proposed in deriving the Galerkin and the collocation techniques of HT BEM. Then two auxiliary functions
are introduced to improve the accuracy of the displacement field near the crack tips, and stress intensity factor (SIF) is
evaluated by local crack elements as well. Furthermore, numerical examples are given, including comparisons of the present
results with the analytical solution and the other numerical methods, to demonstrate the efficiency for different boundary
conditions and to illustrate the convergence influenced by several parameters. It shows that HT BEM by using the Galerkin
and the collocation techniques is effective for mode III fracture problems.
The project supported by the National Natural Science Foundation of China(10472082). The English text was polished by Keren
Wang. 相似文献
966.
967.
离子交换树脂催化酯化生物油的试验研究 总被引:1,自引:0,他引:1
生物油黏稠、稳定性差、热值低、腐蚀性强,需要进行改质与品位提升,将生物油中的有机酸通过酯化的方法转化为中性的酯类可以改善生物油的性能。实验利用模型反应,筛选出了适合于生物油体系的732型和NKC-9型两种树脂作为酯化改质的催化剂。生物油和甲醇在间歇釜内以732和NKC-9为催化剂进行改质以后,酸值分别降低了88.54%和85.95%,表明生物油中的有机酸极大地转化为中性酯类。此外,热值分别提高了32.26%和31.64%,水分分别降低了27.74%和30.87%,密度均降低了21.77%,黏度降低均接近97%。732树脂固定床催化酯化生物油后,酸值降低了92.61%。加速陈化实验和铝片腐蚀性实验结果分别表明,改质生物油的稳定性和腐蚀性能得到了改善。 相似文献
968.
969.
A charged spherical particle is concentrically positioned in a converging-diverging nanotube filled with an electrolyte solution, resulting in an electric double layer (EDL) forming around the particle's surface. In the presence of an axially applied electric field, the particle electrophoretically migrates along the axis of the nanotube due to the electrostatic and hydrodynamic forces acting on the particle. In contrast to a cylindrical nanotube with a constant cross-sectional area in which the electric field is almost uniform, the presence of a converging-diverging section in a nanotube alters the electric field, perturbs the charge distribution, and induces a pressure gradient and a recirculating flow that affect the electrostatic and hydrodynamic forces acting on both the particle and the fluid. Depending on the magnitude of the surface charge density along the nanotube's wall, the particle's electrophoretic motion may be significantly accelerated as the particle transverses the converging-diverging section. A continuum model consisting of the Nernst-Planck, Poisson, and Navier-Stokes equations for the ionic concentrations, electric potential, and flow field is implemented to compute the particle's velocity as a function of the particle's size, the nanotube's geometry, surface charges, electric field intensity, bulk electrolyte concentration, and the particle's location. When the particle is negatively charged and the wall of the nanotube is uncharged, the particle migrates in the direction opposite to that of the applied electric field and the presence of the converging-diverging section significantly accelerates the particle's motion. This, however, is not always true when the nanotube's wall is charged with the same sign as that of the particle. Once the ratio of the surface charge density of the nanotube's wall to that of the particle exceeds a certain value, the negatively charged particle will not translocate through the tube toward the anode and does not attain the maximum velocity at the throat of the converging-diverging section. One can envision such a device to be a nanofilter that allows molecules with surface charge densities much higher than that of the wall to go through the nanofilter, while preventing molecules with surface charge densities lower than that of the wall from passing through the nanofilter. The induced recirculating flow may be used to enhance mixing and to stretch, fold, and trap molecules in nanofluidic detectors and reactors. 相似文献
970.
Juan Migliore Rosa M. Miró-Roig Satoshi Murai Uwe Nagel Junzo Watanabe 《Archiv der Mathematik》2013,101(5):445-454
A homogeneous ideal I of a polynomial ring S is said to have the Rees property if, for any homogeneous ideal ${J \subset S}$ which contains I, the number of generators of J is smaller than or equal to that of I. A homogeneous ideal ${I \subset S}$ is said to be ${\mathfrak{m}}$ -full if ${\mathfrak{m}I:y=I}$ for some ${y \in \mathfrak{m}}$ , where ${\mathfrak{m}}$ is the graded maximal ideal of ${S}$ . It was proved by one of the authors that ${\mathfrak{m}}$ -full ideals have the Rees property and that the converse holds in a polynomial ring with two variables. In this note, we give examples of ideals which have the Rees property but are not ${\mathfrak{m}}$ -full in a polynomial ring with more than two variables. To prove this result, we also show that every Artinian monomial almost complete intersection in three variables has the Sperner property. 相似文献