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231.
Computational insight into asymmetric uranyl‐salophen coordinated with α, β‐unsaturated aldehydes and ketones
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Wen‐Bo Lan Xiao‐Feng Wang Li‐Ping He Yan‐Bin Meng Jun Li Bin Qiu Chang‐Ming Nie 《应用有机金属化学》2018,32(3)
The study of the catalytic activity and activation mechanism of asymmetric uranyl‐salophens with α, β‐unsaturated aldehydes or α, β‐unsaturated ketones, is a research hotspot. In this paper, the complexes of the uranyl–salophen(U‐S) modified by unilateral benzene, coordinated with cyclohexenone, cyclopentenone and acrolein, were investigated using density functional theory calculations at the level of B3LYP/6‐311G(d, p) basis set. The results showed that the uranyl‐salophen(U‐S) weakened the large π bond between C = C and C = O of the α, β‐unsaturated aldehydes and ketones, making the unsaturated aldehydes and ketones activated. In addition, the molecular‐recognition selectivity of the asymmetrical uranyl‐salophen for cyclohexenone and cyclopentenone were much higher than for acrolein. 相似文献
232.
Xin Yuan Yu-Sheng Cui Xin-Peng Zhang Long-Zhou Qin Qi Sun Xiu Duan Lin Chen Guigen Li Jiang-Kai Qiu Prof. Kai Guo 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(21):6522-6528
Considering their unique roles in organic synthesis, and pharmaceutical and agrochemical applications, the development of fluoroalkylation, cyclization, and indole oxidative cleavage are important topics. Herein, an unprecedented electrochemical tri- and difluoromethylation/cyclization/indole oxidative cleavage process occurring in an undivided cell is presented. The protocol employs a readily prepared Langlois reagent as the fluoroalkyl source, affording a series of tri- or difluoromethylated 2-(2-acetylphenyl)isoquinoline-1,3-diones in good yields with excellent stereoselectivity. It is worth noting that this new methodology merges the fluoroalkylation/cyclization of N-substituted acrylamide alkenes with the oxidative cleavage of an indole C(2)=C(3) bond under external oxidant-free conditions. 相似文献
233.
We investigate the critical behavior in tunneling dynamics of a binary mixture of Bose-Einstein condensates (BECs) trapped in a symmetric double well potential. By gradually increasing the interspecies interaction, we characterize a continuous dynamical phase transition behavior which involves power law scaling. This dynamical phase transition is a consequence of separatrix crossing as we revealed by poincaré section analysis. 相似文献
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235.
Synthesis and properties of novel soluble poly(amide‐imide)s with different pendant substituents
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Wenze Li Xinyu Qian Haibiao Shi Weiyi Zhou Yuting Cai Yu Liu Kunzhi Shen 《Journal of polymer science. Part A, Polymer chemistry》2017,55(19):3243-3252
Two types of novel fluorinated diimide‐diacid monomers—[2,2′‐(4,4′‐(3′‐methylbiphenyl‐2,5‐diyl)bis(oxy)bis(3‐(trifluoromethyl)‐4,1‐phenylene))bis(1,3‐dioxoisoindoline‐5‐carboxylic acid)] (III) and [2,2′‐(4,4′‐(3′‐(trifluoromethyl)biphenyl‐2,5‐diyl)bis(oxy)bis(3‐(trifluoromethyl)‐4,1‐phenylene))bis(1,3‐dioxoisoindoline‐5‐carboxylic acid)] (IV)—were respectively designed and prepared by the condensation of diamines I and II with two molar equivalents of trimellitic anhydride. From both diimide‐diacids, two series of novel poly(amide‐imide)s (PAIs) (IIIa–IIIe and IVa–IVe) bearing different pendant groups were prepared by direct polymerization with various aromatic diamines (a–e). All the PAIs had a high glass transition temperatures (Tgs, 232–265 °C), excellent thermal stability (exhibiting only 5% weight loss at 493–542 °C under nitrogen) and good solubility in various organic solvents due to the introduction of the bulky pendant groups. The cast films of these PAIs (80–90 μm) had good optical transparency (73–81% at 450 nm, 85–88% at 550 nm and 87–89% at 800 nm) and low dielectric constants (2.65–2.98 at 1 MHz). The spin‐coated films of these PAIs presented a minimum birefringence value as low as 0.0077–0.0143 at 650 nm and low optical absorption at the near‐infrared optical communication wavelengths of 1310 and 1550 nm. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017 , 55, 3243–3252 相似文献
236.
Bo Wang Limin Qiu Kai Wang Daming Sun Xuejun Zhang Weijuan Yang Junhu Zhou 《Applied Acoustics》2012,73(5):508-513
A Helmholtz resonator can be used as a transmission part to connect the thermoacoustic engine (TE) with its load. However, the resonator can significantly influence the performance of the TE. In order to investigate the impact of a Helmholtz resonator on the onset process of a TE, infrared (IR) imaging is firstly used as a visualization method to characterize the onset mechanism. The influence of dimensions of the Helmholtz resonator on the onset process are analyzed experimentally and theoretically. Results show that the Helmholtz resonator reduces the pressure amplitude at the onset moment and increases the onset temperature of the TE, both of which depend on the acoustic power absorbed from the TE. Onset without a sudden increase of pressure amplitude is observed with the Helmholtz resonator at resonance length. This paper shows that IR imaging is an effective way to characterize the temperature distribution in a TE study. 相似文献
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239.
LC–MS/MS determination and interaction of the main components from the traditional Chinese drug pair Danshen–Sanqi based on rat intestinal absorption
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Juan Huang Jing Zhang Junqi Bai Wen Xu Dinghong Wu Xiaohui Qiu 《Biomedical chromatography : BMC》2016,30(12):1928-1934
The Chinese drug pair Danshen (Salvia miltiorrhiza)–Sanqi (Panax ginseng) has been widely used for centuries treating various cardiovascular disorders, among which salvianlic acid B (SAB), ginsenoside Rg1 (GRg1), ginsenoside Rb1 (GRb1) and notoginsenoside R1 (NGR1) were identified as the major components. The present study focused on the interaction between these components based on investigating their intestinal absorption using the Ussing chamber technique. The concentrations of SAB, GRg1, GRb1 and NGR1 in the intestinal perfusate were determined by LC–MS/MS method, followed by Q (accumulative quantity) and Papp (apparent permeability). The results showed that all these four main components displayed very low permeabilities, which implied their poor absorption in the rat intestine. The intestinal absorption level of SAB displayed regioselectivity: duodenum < jejunum < ileum. However, there was no significant difference in the absorption of GRg1 and GRb1 in the different segments. The Q and Papp values of the four main components were obviously increased in jejunum when co‐administrating Danshen extract with Sanqi extract. In conclusion, compatibility of Danshen and Sanqi could remarkably improve the intestinal absorption level of the main components in the pair. To some extent, this might explain the nature of the compatibility mechanisms of composite formulae in TCMs. 相似文献
240.
In practice, predictors possess grouping structures spontaneously. Incorporation of such useful information can improve statistical modeling and inference. In addition, the high-dimensionality often leads to the collinearity problem. The elastic net is an ideal method which is inclined to reflect a grouping effect. In this paper, we consider the problem of group selection and estimation in the sparse linear regression model in which predictors can be grouped. We investigate a group adaptive elastic-net and derive oracle inequalities and model consistency for the cases where group number is larger than the sample size. Oracle property is addressed for the case of the fixed group number. We revise the locally approximated coordinate descent algorithm to make our computation. Simulation and real data studies indicate that the group adaptive elastic-net is an alternative and competitive method for model selection of high-dimensional problems for the cases of group number being larger than the sample size. 相似文献