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901.
902.
Tie‐Qiang Huang Wen‐Yan Qu Jin‐Chang Ding Miao‐Chang Liu Hua‐Yue Wu Jiu‐Xi Chen 《Journal of heterocyclic chemistry》2013,50(2):293-297
A facile and simple catalyst‐free protocol has been developed for the condensation of 1,2‐diketones with aromatic 1,2‐diamines in polyethylene glycol (PEG), providing quinoxaline derivatives in good yields. The important features of the methodology are broad substrates scope, simple workup, catalyst free, environmentally benign, and no requirement for metal catalysts. It is noteworthy that the cyclization reaction of 1,2‐diketones with aliphatic 1,2‐diamines is also conducted smoothly to afford pyrazines in good yields under the standard conditions. In addition, PEG could be recovered easily and was reused without evident loss in activity 相似文献
903.
Let A be a subalgebra of Uq (sl(2)) generated by K, K-1 and F and Aδ be a subalgebra of Uq (sl(2)) generated by K, K-1 (and also Fd if q is a primitive d-th root of unity with d an odd number). Given an Aδ -module M, a Uq (sl(2))-module AAδ M is constructed via the iterated Ore extension of Uq (sl(2)) in a unified framework for any q. Then all the submodules of AAδ M are determined for a fixed finite-dimensional indecomposable Aδ -module M . It turns out that for some indecomposable Aδ -module M , the Uq (sl(2))-module AAδ M is indecomposable, which is not in the BGG-categories Oq associated with quantum groups in general. 相似文献
904.
A Facile Approach to Optically Active Hydroquinoline‐2‐carboxylates by a One‐Pot Asymmetric Michael/Transamination/Cyclization Process
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Dr. Chao Rong Hongjie Pan Dr. Mao Liu Hua Tian Dr. Yian Shi 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(9):2887-2891
An efficient one‐pot synthesis of optically active hydroquinoline‐2‐carboxylates from 1,3‐cyclohexanediones, β,γ‐unsaturated α‐keto ester, and benzylamine in the presence of a chiral base catalyst and 1,8‐diazabicyclo[5.4.0]undec‐7‐ene (DBU) with good diastereoselectivity and high enantioselectivity is described. The reaction proceeds by a sequential asymmetric Michael/transamination/cyclization process. 相似文献
905.
Yuan Hu Brad Sherborne Tai-Sung Lee David A. Case Darrin M. York Zhuyan Guo 《Journal of computer-aided molecular design》2016,30(7):533-539
In drug discovery, protonation states and tautomerization are easily overlooked. Through a Merck–Rutgers collaboration, this paper re-examined the initial settings and preparations for the Thermodynamic Integration (TI) calculation in AMBER Free-Energy Workflows, demonstrating the value of careful consideration of ligand protonation and tautomer state. Finally, promising results comparing AMBER TI and Schrödinger FEP+ are shown that should encourage others to explore the value of TI in routine Structure-based Drug Design. 相似文献
906.
High‐Level Incorporation of Silver in Gold Nanoclusters: Fluorescence Redshift upon Interaction with Hydrogen Peroxide and Fluorescence Enhancement with Herbicide
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Dr. Guijian Guan Dr. Yongqing Cai Dr. Shuhua Liu Dr. Haidong Yu Dr. Shiqiang Bai Dr. Yuan Cheng Dr. Tao Tang Dr. M. S. Bharathi Prof. Yong‐Wei Zhang Prof. Ming‐Yong Han 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(5):1675-1681
High‐level incorporation of Ag in Au nanoclusters (NCs) is conveniently achieved by controlling the concentration of Ag+ in the synthesis of bovine serum albumin (BSA)‐protected Au NCs, and the resulting structure is determined to be bimetallic Ag28Au10‐BSA NCs through a series of characterizations including energy‐dispersive X‐ray spectroscopy, mass spectroscopy, and X‐ray photoelectron spectroscopy, together with density functional theory simulations. Interestingly, the Ag28Au10 NCs exhibit a significant fluorescence redshift rather than quenching upon interaction with hydrogen peroxide, providing a new approach to the detection of hydrogen peroxide through direct comparison of their fluorescence peaks. Furthermore, the Ag28Au10 NCs are also used for the sensitive and selective detection of herbicide through fluorescence enhancement. The detection limit for herbicide (0.1 nm ) is far below the health value established by the U.S. Environmental Protection Agency; such sensitive detection was not achieved by using AuAg NCs with low‐level incorporation of Ag or by using the individual metal NCs. 相似文献
907.
Xia Li Gang-Hua Deng Rong-Juan Feng Ke Lin Zhen Zhang Yu Ba Zhou Lu Yuan Guo 《中国化学快报》2016,27(4):535-539
The salt effects on molecular orientation at air/liquid methanol interface were investigated by the polarization-dependent sum frequency generation vibrational spectroscopy(SFG-VS). We clarified that the average tilting angle of the methyl group to be u = 308 58 at the air/pure methanol surface assuming a d-function orientational distribution. Upon the addition of 3 mol/L Na I, the methyl group tilts further away from the surface normal with a new u = 418 38. This orientational change does not explain the enhancement of the SFG-VS intensities when adding Na I, implying the number density of the methanol molecules with a net polar ordering in the surface region also changed with the Na I concentrations. These spectroscopic findings shed new light on the salt effects on the surfaces structures of the polar organic solutions. It was also shown that the accurate determination of the bulk refractive indices and Raman depolarization ratios for different salt concentrations is crucial to quantitatively interpret the SFG-VS data. 相似文献
908.
Synthesis,Characterization, and Electronic Structures of Porphyrins Fused with Polycyclic Aromatic Ring Systems
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Prof. Dr. Tetsuo Okujima Dr. John Mack Dr. Jun Nakamura Gugu Kubheka Prof. Dr. Tebello Nyokong Dr. Hua Zhu Naoki Komobuchi Prof. Dr. Noboru Ono Prof. Dr. Hiroko Yamada Prof. Dr. Hidemitsu Uno Prof. Dr. Nagao Kobayashi 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(41):14730-14738
A series of porphyrins fused with acenaphthylene, phenanthroline, and benzofluoranthene polycyclic aromatic rings were prepared by means of a 3+1 porphyrin synthesis approach and subsequent retro‐Diels–Alder reaction of bicyclo[2.2.2]octadiene‐fused precursors. Analysis of the magnetic circular dichroism spectra and the results of time‐dependent DFT calculations are used to identify the reasons for the trends observed in the wavelengths and relative intensities of the Q bands of the products. Michl's perimeter model is used as a conceptual framework to explain the changes in the relative energies of the frontier π‐molecular orbitals. 相似文献
909.
910.
Yi-Hang Zhang Yong-Hai Yuan Shu-Yu Zhang Yong-Qiang Tu Jin-Miao Tian 《Tetrahedron letters》2018,59(45):4015-4018
The asymmetric intramolecular Friedel–Crafts type Michael reaction of α,β-unsaturated aldehyde with pyrrole, catalyzed by a spiropyrrolidine (SP)-type organocatalyst, has been accomplished, which allows the construction of a series of azepine and indolizine frameworks with high to excellent enantioselectivities (up to 98% ee). Moreover, the substrate scope could be extended to generate a quaternary center in indolizine frameworks (up to 96% ee). 相似文献