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141.
142.
H.J. Peng Y.Q. Xie 《金属学报(英文版)》2007,20(4):270-276
On the basis of the framework of systematic science of alloys (SSA), the basic information such as states, volumes, and potential energies of characteristic atoms in hcp Ti-Al system have been determined. The average atomic state of the hcp Ti3Al compound consisting of ψTi4 and ψAl0atoms is 0.75[Ar] (3dn)0.573 (3dc)2.1685 (4sc)0.972 (4sf)0.3093 0.25[Ne] (3sc)1.32 (3pc)1.19 (3sf 3pf)0.49. The brittleness of the ordered hcp Ti3Al compound has been discussed considering the fundamental factors, which are atomic states, bond networks, potential energy wave planes, and the ratio xTi/xAl. The existence of more pc and more dc directional electrons in the hcp Ti3Al compound lead to considerable brittleness; From bond networks and potential energy wave planes, the hcp Ti3Al compound has poorer ductility than the pure hcp Ti metal and the pure fcc Al metal; The Al-rich hcp Ti3Al ordered type alloys have poorer ductility than the Ti-rich hcp Ti3Al ordered type alloys. 相似文献
143.
光电经纬仪外引导功能室内检测技术的实现 总被引:2,自引:2,他引:0
根据光电经纬仪室内检测工作的需要,在研究数据通信原理的基础上,建立了基于TCP/IP协议的检测网络,并利用计算机软件模拟外场中各种引导设备的引导信息,将各种不同的外引导信息通过检测网络传输传送到多个经纬仪分站系统,同时接收每个分站返回的数据,进行综合分析,实现了在室内检测光电经纬仪外引导功能,为经纬仪的室内检测提供了一种新的手段. 相似文献
144.
Yong Hui Lee Jingshan Luo Robin Humphry‐Baker Peng Gao Michael Grätzel Mohammad Khaja Nazeeruddin 《Advanced functional materials》2015,25(25):3925-3933
The effect of the presence of unreacted PbI2 on the perovskite solar cells efficiency is reported. N,N‐Dimethylformamide vapor treatment is introduced to study the influence of complete conversion to a power conversion efficiency of the device. It is discovered that the optimized morphology of the PbI2 under layer is essential to form a dense perovskite layer preventing recombination by direct contact between TiO2 and a hole transporting layer, and to increase the charge collection efficiency. The present findings provide an insight into the morphology and growth mechanism of perovskite layer, the correlation between the device performance, and the film deposition process. 相似文献
145.
Yonghyun Kim Huiwen Liu Yi Liu Boa Jin Hao Zhang Wenjing Tian Chan Im 《Frontiers of Chemical Science and Engineering》2021,15(1):187-197
Cesium lead halide perovskite(CsPbX3,X=Cl,Br,I)quantum dots(QDs)and their partly Mn2+-substituted QDs(CsPb1–xMnxX3)attract considerable attention owing to their unique photoluminescence(PL)efficiencies.The two types of QDs,having different PL decay dynamics,needed to be further investigated in a form of aggregates to understand their solid-state-induced exciton dynamics in conjunction with their behaviors upon degradation to achieve practical applications of those promising QDs.However,thus far,these QDs have not been sufficiently investigated to obtain deep insights related to the long-term stability of their PL properties as aggregated solid-states.Therefore,in this study,we comparatively examined CsPbX3-and CsPb1–xMnxX3-type QDs stocked for>50 d under dark ambient conditions by using excitation wavelength-dependent PL quantum yield and time-resolved PL spectroscopy.These investigations were performed with powder samples in addition to solutions to determine the influence of the inter-QD interaction of the aged QD aggregates on their radiative decays.It turns out that the Mn2+-substituted QDs exhibited long-lasting PL quantum efficiencies,while the unsubstituted CsPbX3-type QDs exhibited a drastic reduction of their PL efficiencies.And the obtained PL traces were clearly sensitive to the sample status.This is discussed with the possible interaction depending on the size and distance of the QD aggregates. 相似文献
147.
148.
María Conde-Gimnez Juan Jos Galano-Frutos María Galiana-Cameo Alejandro Mahía Bruno L. Victor Sandra Salillas Adrin Velzquez-Campoy Rui M. M. Brito Jos Antonio Glvez María D. Díaz-de-Villegas Javier Sancho 《International journal of molecular sciences》2022,23(9)
Phenylketonuria (PKU) is a rare metabolic disease caused by variations in a human gene, PAH, encoding phenylalanine hydroxylase (PAH), and the enzyme converting the essential amino acid phenylalanine into tyrosine. Many PKU-causing variations compromise the conformational stability of the encoded enzyme, decreasing or abolishing its catalytic activity, and leading to an elevated concentration of phenylalanine in the blood, which is neurotoxic. Several therapeutic approaches have been developed to treat the more severe manifestations of the disorder, but they are either not entirely effective or difficult to adhere to throughout life. In a search for novel pharmacological chaperones to treat PKU, a lead compound was discovered (compound IV) that exhibited promising in vitro and in vivo chaperoning activity on PAH. The structure of the PAH-IV complex has been reported. Here, using alchemical free energy calculations (AFEC) on the structure of the PAH-IV complex, we design a new generation of compound IV-analogues with a higher affinity for the enzyme. Seventeen novel analogues were synthesized, and thermal shift and isothermal titration calorimetry (ITC) assays were performed to experimentally evaluate their stabilizing effect and their affinity for the enzyme. Most of the new derivatives bind to PAH tighter than lead compound IV and induce a greater thermostabilization of the enzyme upon binding. Importantly, the correspondence between the calculated alchemical binding free energies and the experimentally determined ΔΔGb values is excellent, which supports the use of AFEC to design pharmacological chaperones to treat PKU using the X-ray structure of their complexes with the target PAH enzyme. 相似文献
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