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71.
We have performed total-energy calculations to study theoretical scanning tunneling microscopy (STM) images of the Si(1 1 1)3 × 2 surfaces induced by the adsorption of alkaline-earth metals (AEMs). Previously, in a series of works on Ba/Si(1 1 1) system, we have found that the observed Si(1 1 1)3 × 1-Ba LEED phase indeed has a 3 × 2 periodicity with a Ba coverage of 1/6 ML and the HCC substrate structure. Based on results of the Ba case, we proposed that the HCC structure is also adopted for other AEM atoms, which was confirmed by our recent work. In this paper, we mainly report the STM simulations for different AEM systems to compare with existing experimental data. We discuss the difference in the detailed STM images for different AEM adsorbates. Especially, the difference in filled-state images between Mg and other AEM atoms is attributed to the strong Mg-Si interaction. 相似文献
72.
73.
First, this paper deals with lagrangean heuristics for the 0-1 bidimensional knapsack problem. A projected subgradient algorithm is performed for solving a lagrangean dual of the problem, to improve the convergence of the classical subgradient algorithm. Secondly, a local search is introduced to improve the lower bound on the value of the biknapsack produced by lagrangean heuristics. Thirdly, a variable fixing phase is embedded in the process. Finally, the sequence of 0-1 one-dimensional knapsack instances obtained from the algorithm are solved by using reoptimization techniques in order to reduce the total computational time effort. Computational results are presented. 相似文献
74.
Wei‐Ling Wang Jian‐Wei Xu Yee‐Hing Lai 《Journal of polymer science. Part A, Polymer chemistry》2006,44(13):4154-4164
Bipyridinophane–fluorene conjugated copolymers have been synthesized via Suzuki and Heck coupling reactions from 5,8‐dibromo‐2,11‐dithia[3]paracyclo[3](4,4′)‐2,2′‐bipyridinophane and suitable fluorene precursors. Poly[2,7‐(9,9‐dihexylfluorene)‐co‐alt‐5,8‐(2,11‐dithia[3]paracyclo[3](4,4′)‐2,2′‐bipyridinophane)] ( P7 ) exhibits large absorption and emission redshifts of 20 and 34 nm, respectively, with respect to its planar reference polymer Poly[2,7‐(9,9‐dihexylfluorene)‐co‐alt‐1,4‐(2,5‐dimethylbenzene)] ( P11 ), which bears the same polymer backbone as P7 . These spectral shifts originate from intramolecular aromatic C? H/π interactions, which are evidenced by ultraviolet–visible and 1H NMR spectra as well as X‐ray single‐crystal structural analysis. However, the effect of the intramolecular aromatic C? H/π interactions on the spectral shift in poly[9,9‐dihexylfluorene‐2,7‐yleneethynylene‐co‐alt‐5,8‐(2,11‐dithia[3]paracyclo[3](4,4′)‐2,2′‐bipyridinophane)] ( P10 ) is much weaker. Most interestingly, the quenching behaviors of these two conjugated polymers are largely dependent on the polymer backbone. For example, the fluorescence of P7 is efficiently quenched by Cu2+, Co2+, Ni2+, Zn2+, Mn2+, and Ag+ ions. In contrast, only Cu2+, Co2+, and Ni2+ ions can partially quench the fluorescence of P10 , but much less efficiently than the fluorescence of P7 . The static Stern–Volmer quenching constants of Cu2+, Co2+, and Ni2+ ions toward P7 are of the order of 106 M?1, being 1300, 2500, and 37,300 times larger than those of P10 , respectively. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 4154–4164, 2006 相似文献
75.
76.
The Newton filtration and d-determination of bifurcation problems related to C~0 contact equivalence
SU Dan & ZHANG Dunmu School of Mathematics Statistics Wuhan University Wuhan China 《中国科学A辑(英文版)》2006,49(5)
In this paper, from the Newton filtration's point of view, we construct the singular Riemannian metric and use the method in singular theory to study the bifurcation problems, and give the sufficient condition of d-determination of bifurcation problems with respect to C0 contact equivalence. The special cases of the main result in this paper are the results of Sun Weizhi and Zou Jiancheng. 相似文献
77.
枸橼酸莫沙必利的合成 总被引:1,自引:0,他引:1
分别以邻羟基对氨基苯甲醇钠,对氟苯甲醛,邻苯二甲酰亚胺为起始原料,制得3个中间体,用其中2个中间体经偶合,环化后与第3个中间体反应,再经成盐制得产品,其摩尔总收率为31.5%。 相似文献
78.
实验获得了Ar+激光514.5nm线诱导23Na39K分子产生的D1∏→X1∑+跃迁荧光谱.通过测量激光感生荧光光谱强度随泵浦功率、热管炉温度及缓冲气压变化规律,详细研究了其跃迁机制.用最小二乘法拟合获得23Na39K分于X1∑+态振动常数.理论计算了各跃迁谱支波长值及Franck-Condon因子和光谱强度值,与实验观测值符合得相当好,充分表明本文对激光感生荧光光谱的归属以及对各支谱线振、转量子数的赋值是合理的. 相似文献
79.
The He1 photoelectron (PE) spectra of both 2(5H) furanone and itstrans-chair-dimeric-compound (t-c-DFN) are reported. The assignment of the PES bands is made on the basis of band shapes, the PES results of the molecules
which have the similar atomic groups, and the restricted Hartree-Fock (RHF) calculations for the molecules studied. From the
results of both PES experimental and theoretical calculations, it is proved that the ionization potential (IPS) of the HOMO
for the dimeric-compound is lower than that of the HOMO for the monomer. And the total energy computed for thet-c-DFN is the lowest in the four possible configurations of dimeric-compounds of 2(5H) furanone. Therefore the synthesis oft-c-DFN is also the easiest.
Project supported by the National Natural Science Foundation of China. 相似文献
80.
直接序列扩展频谱中伪码优选研究 总被引:1,自引:0,他引:1
本文从最优化理论和工程实际出发,全面分析和完善了直接序列扩展频谱中伪码的数学模型,在此基础上,建立了一种较准确的伪码优选数学模型,并探讨了合适的搜索算法。 相似文献