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111.
Mikhail I. Smushkin Valentina G. Kharchenko Boris I. Drevko 《Phosphorus, sulfur, and silicon and the related elements》2013,188(1):621-624
It is shown using 1H NMR spectroscopy that 2,4,6-triphenyl-4H-seleno(thio)pyrans can be isomerized into 2H-isomers by the action of lithium perchlorate or lithium chloride in DMF or only by DMF. The reaction time is found to depend on the Lewis acidity of used salt. It is supposed that isomerization in presence of Lewis acids proceeds as endocyclic 1,3-proton transfer or as a series of two 1,2-hydride shifts. 相似文献
112.
113.
We prove that a surface in 3-dimensional Euclidean space containing a line and a circle through each point is a quadric. We also give some particular results on the classification of surfaces containing several circles through each point. 相似文献
114.
115.
Elena B. Averina Yuri V. Samoilichenko Yulia A. Volkova Yuri K. Grishin Victor B. Rybakov Andrei G. Kutateladze Mikhail E. Elyashberg Tamara S. Kuznetsova Nikolai S. Zefirov 《Tetrahedron letters》2012,53(12):1472-1475
Revised regiochemistry for the heterocyclization of electrophilic alkenes with tetranitromethane (TNM) in the presence of triethylamine, providing rapid access to nitroisoxazoles, is reported. The formation of 5-nitroisoxazoles previously incorrectly assigned as 3-nitro regioisomers, has now been established unambiguously by X-ray crystallography. Empirical computations with ACD/CNMR Predictor, based both on hierarchical ordering of spherical environments (HOSE) and an algorithm of artificial neural networks (ANN), and also Density Functional Theory computations of the 13C NMR chemical shifts for the 3- versus 5-nitroisoxazoles are shown to consistently match the spectra of the experimentally observed 5-regioisomers. 相似文献
116.
The techniques of integration by parts and differential reduction differ in the counting of master integrals. This is illustrated using as an example the two-loop sunset diagram with on-shell kinematics. A new algebraic relation between the master integrals of the two-loop sunset diagram that does not follow from the standard integration-by-parts technique is found. 相似文献
117.
Daniel Romero Nieto Mikhail G. Zolotukhin Lioudmila Fomina Serguei Fomine 《Journal of Physical Organic Chemistry》2010,23(9):878-884
Energies of mono‐ and multiprotonation for 1,2,3‐indanetrione and ninhydrin in triflic acid (TFSA) media were estimated at PBE0/aug‐cc‐pvtz//6‐31+G** level of theory. The reactivity of formed intermediates in the reaction of aromatic electrophilic substitution has been studied at the same level of theory. It appears that the basicity of carbonyl groups in 1,2,3‐indanetrione is extremely low due to mutual influences of carbonyl groups. Carbonyl 2 is the least basic but the most reactive in accordance with experiment. Calculations demonstrated that monoprotonated intermediates are the principal reactive species in the reaction of hydroxyalkylation of 1,2,3‐indanetrione in TFSA. A new isomerization mechanism of 2,2‐diaryl‐1,3‐indanediones to 3‐(diarylmethylene)isobenzofuranones in TFSA media has been proposed. Copyright © 2010 John Wiley & Sons, Ltd. 相似文献
118.
Novel types of hydrazinopeptide-like units containing five elements of diversity have been prepared in two steps using sequential
Ugi reactions. 相似文献
119.
Cheng-Xian Lin Mikhail Sekachev Zhiyu Hu Don Dareing 《Journal of nanoparticle research》2010,12(3):865-876
In this article, various energies and geometries of pure platinum nanoparticles and those of platinum nanoparticles with adsorbed
OH were investigated. Fourteen different platinum clusters of 3–40 atoms were studied using spin-unrestricted density functional
theory (DFT) with a double numerical plus polarization basis set. This range of sizes gave enough information for establishing
the general trends that were the primary goal of the study. Three different shapes of platinum clusters were presented, and
the effect of cluster size on binding energy, total energy, and HOMO–LUMO energy gap was investigated. Subsequently, same
calculations were performed for those selected Pt clusters with OH adsorbate on the surface. The results show that the stability
of both the pure clusters and the clusters with adsorbed OH molecule increases with an increase of cluster size. This fact
indicates that direct influence of the size of Pt cluster on the reaction rate is possible, and the understanding of how cluster
size would affect binding energy is important. As expected, the effect of cluster size on total energy of molecule was shown
to be a linear function independent of cluster type. We also found that optimized (stable) Pt clusters were bigger in size
than that of the initial clusters, or clusters with bulk geometry. 相似文献
120.
Mikhail A. Kuznetsov Aleksandr N. Shestakov Mikhail Zibinsky Mikhail Krasavin Claudiu T. Supuran Stanislav Kalinin Muhammet Tanç 《Tetrahedron letters》2017,58(2):172-174
Previously unknown N-aminosaccharin was prepared in good yield via the one-step direct amination of saccharin sodium salt with hydroxylamine-O-mesitylenesulfonic acid (MSH) and its reactivity investigated. N-aminosaccharin and its derivatives were tested against hCA isoforms and the parent compound was identified to be a selective, low micromolar inhibitor (Ki = 8.8 μM) of hCA I. These findings provide a ligand-efficient starting point for the design of potent hCA I inhibitors – a promising drug target for retinal/cerebral edema treatment. 相似文献