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111.
研究和分析了中国古代天文学的辉煌成就与当今中国“天眼”--500 m口径球面射电望远镜(FAST)科学目标--脉冲星的关系。针对宋朝天文学家记录的客星与FAST正在进行的脉冲星观测,详述了宋代客星记录在世界科技史上的贡献;介绍了脉冲星发现历史与基本天体物理特征,以及脉冲星作为FAST科学目标的意义。以客星到脉冲星的千年追寻为线索,探索和尝试回答“李约瑟难题”,认为现代科学是人类文明共同体的长期探索结晶,中国在科学早期的发育过程中播撒了创新火种,而西方在文艺复兴运动中不断完善了科学体系,其中东西方科技的交流与传播得益于蒙古帝国在丝绸之路的远征与开拓。 相似文献
112.
Abstract Platinum is studied, theoretically, under very high compression. The calculated equation of state is found to agree well with the recent experimental data. At V/V0 = 0.4, where V0 is the experimental equilibrium volume, we find a transition from the face centered cubic structure (fcc), found at ambient pressure, to the body centered cubic structure (bcc). The calculated transition pressure is 26 Mbar. The stabilization of the bcc structure is explained by the eigen value sum. 相似文献
113.
114.
Dr. Siddhartha De Dr. Alexandrine Flambard Dr. Delphine Garnier Patrick Herson Dr. Frank H. Köhler Dr. Abhishake Mondal Dr. Karine Costuas Dr. Béatrice Gillon Prof. Rodrigue Lescouëzec Dr. Boris Le Guennic Dr. Frédéric Gendron 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(52):12120-12136
The local magnetic structure in the [FeIII(Tp)(CN)3]− building block was investigated by combining paramagnetic Nuclear Magnetic Resonance (pNMR) spectroscopy and polarized neutron diffraction (PND) with first-principle calculations. The use of the pNMR and PND experimental techniques revealed the extension of spin-density from the metal to the ligands, as well as the different spin mechanisms that take place in the cyanido ligands: Spin-polarization on the carbon atoms and spin-delocalization on the nitrogen atoms. The results of our combined density functional theory (DFT) and multireference calculations were found in good agreement with the PND results and the experimental NMR chemical shifts. Moreover, the ab-initio calculations allowed us to connect the experimental spin-density map characterized by PND and the suggested distribution of the spin-density on the ligands observed by NMR spectroscopy. Interestingly, significant differences were observed between the pseudo-contact contributions of the chemical shifts obtained by theoretical calculations and the values derived from NMR spectroscopy using a simple point-dipole model. These discrepancies underline the limitation of the point-dipole model and the need for more elaborate approaches to break down the experimental pNMR chemical shifts into contact and pseudo-contact contributions. 相似文献
115.
Dr. Subrat Kumar Barik Shou-Chih Huo Chun-Yen Wu Tzu-Hao Chiu Jian-Hong Liao Dr. Xiaoping Wang Dr. Samia Kahlal Prof. Jean-Yves Saillard Prof. C. W. Liu 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(46):10471-10479
Although atomically precise polyhydrido copper nanoclusters are of prime interest for a variety of applications, they have so far remained scarce. Herein, this work describes the synthesis of a dithiophosphate-protected copper(I) hydride-rich nanocluster (NC), [Cu30H18{S2P(OnPr)2}12] ( 1H ), fully characterized by various spectroscopic methods and single-crystal X-ray diffraction. The X-ray structure of 1H reveals an unprecedented central Cu12 hollow icosahedron. Six faces of this icosahedron are capped by Cu3 triangles, the whole Cu30 core being wrapped by twelve dithiophosphate ligands and the whole cluster has ideal S6 symmetry. The locations of the 18 hydrides in 1H were ascertained by a single-crystal neutron diffraction study. They are composed of three types: capping μ3-H, interstitial μ4-H (seesaw) and μ5-H ligands (square pyramidal), in good agreement with the DFT simulations. The numbers of hydrides and ligand resonances in the 1H NMR spectrum of 1H are in line with their coordination environment in the solid state, retaining the S6 symmetry in solution. Furthermore, two new Se-protected polyhydrido copper nanoclusters, [Cu30H18{Se2P(OR)2}12] ( 2H : R=iPr 3H : R=iBu) were synthesized from their sulfur relative 1H via ligand displacement reaction and their X-ray structures feature the exceptional case where both the NC shape and size are fully conserved during the course of ligand exchange. DFT and TD-DFT calculations allow understanding the bonding and optical properties of clusters 1H – 3H . In addition, the reaction of 1H with [Pd(PPh3)2Cl2] in the presence of terminal alkynes led to the formation of new bimetallic Cu−Pd alloy clusters [PdCu14H2{S2P(OnPr)2}6(C≡CR)6] ( 4 : R=Ph; 5 : R = C6H4F). 相似文献
116.
117.
The state of super-dense matter is essential for us to understand the nature of pulsars; however, non- perturbative quantum chromodynamics makes it very difficult to make direct calculations of the state of cold matter at realistic baryon number densities inside compact stars. Nevertheless, from an observational point of view, it is conjectured that pulsars could be made up of quark clusters since the strong coupling between quarks might render the quarks to be grouped in clusters. In this paper, we attempt to find an equation of state of condensed quark-cluster matter in a phenomenological way. Supposing that the quark-clusters could be analogized to inert gases, we apply here the corresponding-state approach to derive the equation of state of quark-cluster matter, as was similarly demonstrated for nuclear and neutron-star matter in the 1970s. According to the calculations that we have presented, the quark-cluster stars, which are composed of quark-cluster matter, could have a high maximum mass that is consistent with observations and, in turn, further observations of pulsar mass could also place a constraint on the properties of quark-cluster matter. We will also briefly discuss the melting heat during the solid-liquid phase conversion and its related astrophysical consequences. 相似文献
118.
《Mendeleev Communications》2022,32(3):354-356
The novel conjugates of cholesterol with cobalt – bis(dicarbollide) were synthesized by the ring-opening reactions of the cyclic oxonium derivatives of [3,3′-Co(C2B9H11)2]– with the OH group of cholesterol 2-hydroxyethyl ether. The compounds obtained were tested for toxicity to glioblastoma U-87 MG cells and human embryo fibroblasts FECH-15 cells 相似文献
119.
ZuoWei Xie 《中国科学:化学(英文版)》2014,57(8):1061-1063
<正>Carboranes are a class of boron hydride clusters in which one or more of the BH vertices are replaced by CH units.Unlike small boranes, carboranes are kinetically and thermodynamically very stable as well as relatively chemically inert, which are often called three-dimensional relatives of benzenes. They are finding many applications in medicine as boron neutron capture therapy(BNCT) agents, in nanomaterials/supramolecular design as building blocks, and as ligands for transition metals [1]. However, their unique structures make derivatization difficult, which limits their application scope. To this end, there is a need to develop 相似文献
120.
Scattering neutrons are one of the key factors that may affect the images of fast neutron radiog- raphy. In this paper, a mathematical model for scattered neutrons is developed on a cylinder sample, and an empirical formula for scattered neutrons is obtained. According to the results given by Monte Carlo methods, the parameters in the empirical formula are obtained with curve fitting, which confirms the logicality of the empirical formula. The curve-fitted parameters of common materials such as <'6>LiD are given. 相似文献