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1.
Marija argonja Darko Mekterovi Paula
urga Jagoda Ravli‐Gulan Iva Bogdanovi Radovi Gordana
auhar 《X射线光谱测定》2021,50(1):68-79
During metal welding and cutting, large amounts of particulate matter (PM) are produced that might represent a significant health risk for the exposed workers. In the present pilot study, we performed an elemental analysis of fine PM collected in a metal workshop. Also, elemental analysis of the hair and nail samples collected from workers exposed to the workshop dust and control group was done. Concentrations of 15 elements in PM were measured with X‐Ray Fluorescence (XRF) and Particle Induced X‐ray Emission (PIXE), whereas inductively coupled plasma mass spectrometry (ICP‐MS) was used to determine 12 elements in hair and nail samples. Mean 8‐hr concentrations of PM2.5, Fe, and Mn in the vicinity of welders were up to 1803, 860, and 30 μg/m3, respectively, whereas in the nearby city, daily PM2.5 concentrations are on average 11 μg/m3. We found that several elements, especially Fe and Mn, had substantially higher concentrations in hair and nail samples of exposed workers than in the control group, which indicates the accumulation of metals in workers' tissues, although limit values were not exceeded. 相似文献
2.
In this article a coupled version of the improved divergence‐free‐condition compensated method will be proposed to simulate time‐varying geometries by direct forcing immersed boundary method. The proposed method can be seen as a quasi‐multi‐moment framework due to the fact that the momentum equations are discretized by both cell‐centered and cell‐face velocity. For simulating time‐varying geometries, a semi‐implicit iterative method is proposed for calculating the direct forcing terms. Treatments for suppressing spurious force oscillations, calculating drag/lift forces, and evaluating velocity and pressure for freshly cells will also be addressed. In order to show the applicability and accuracy, analytical as well as benchmark problems will be investigated by the present framework and compared with other numerical and experimental results. 相似文献
3.
Serge Gratton Ehouarn Simon David Titley‐Peloquin Philippe L. Toint 《Numerical Linear Algebra with Applications》2021,28(1)
We investigate the method of conjugate gradients, exploiting inaccurate matrix‐vector products, for the solution of convex quadratic optimization problems. Theoretical performance bounds are derived, and the necessary quantities occurring in the theoretical bounds estimated, leading to a practical algorithm. Numerical experiments suggest that this approach has significant potential, including in the steadily more important context of multiprecision computations. 相似文献
4.
Luis Miaja‐Avila Galen C. O'Neil Young Il Joe Kelsey M. Morgan Joseph W. Fowler William B. Doriese Brianna Ganly Deyu Lu Bruce Ravel Daniel S. Swetz Joel N. Ullom 《X射线光谱测定》2021,50(1):9-20
X‐ray emission spectroscopy (XES) of transition metal compounds is a powerful tool for investigating the spin and oxidation state of the metal centers. Valence‐to‐core (vtc) XES is of special interest, as it contains information on the ligand nature, hybridization, and protonation. To date, most vtc‐XES studies have been performed with high‐brightness sources, such as synchrotrons, due to the weak fluorescence lines from vtc transitions. Here, we present a systematic study of the vtc‐XES for different titanium compounds in a laboratory setting using an X‐ray tube source and energy dispersive microcalorimeter sensors. With a full‐width at half‐maximum energy resolution of approximately 4 eV at the Ti Kβ lines, we measure the XES features of different titanium compounds and compare our results for the vtc line shapes and energies to previously published and newly acquired synchrotron data as well as to new theoretical calculations. Finally, we report simulations of the feasibility of performing time‐resolved vtc‐XES studies with a laser‐based plasma source in a laboratory setting. Our results show that microcalorimeter sensors can already perform high‐quality measurements of vtc‐XES features in a laboratory setting under static conditions and that dynamic measurements will be possible in the future after reasonable technological developments. 相似文献
5.
Sing Lai Cong Roy Anitha Hui Lok Yong Mun Chan Sook Rajak Harish Karunakaran Rohini Ravichandran Veerasamy 《Structural chemistry》2022,33(3):649-669
Structural Chemistry - Quinoline- and acridine-based drugs are widely used as anti-breast cancer agents. These drugs act through various mechanisms of action; for example, neratinib acts on... 相似文献
6.
This paper is devoted to study the existence results of a sequence of infinitely many homoclinic orbits for the discrete p‐Laplacian with unbounded potentials without the Ambrosetti and Rabinowitz condition. The strategy of the proof for these results is to approach the problem using the mountain pass theorem, the fountain theorem, and dual fountain theorem. 相似文献
7.
Joachim Loup Uttam Dhawa Fabio Pesciaioli Joanna Wencel‐Delord Lutz Ackermann 《Angewandte Chemie (International ed. in English)》2019,58(37):12803-12818
Molecular syntheses largely rely on time‐ and labour‐intensive prefunctionalization strategies. In contrast, C?H activation represents an increasingly powerful approach that avoids lengthy syntheses of prefunctionalized substrates, with great potential for drug discovery, the pharmaceutical industry, material sciences, and crop protection, among others. The enantioselective functionalization of omnipresent C?H bonds has emerged as a transformative tool for the step‐ and atom‐economical generation of chiral molecular complexity. However, this rapidly growing research area remains dominated by noble transition metals, prominently featuring toxic palladium, iridium and rhodium catalysts. Indeed, despite significant achievements, the use of inexpensive and sustainable 3d metals in asymmetric C?H activations is still clearly in its infancy. Herein, we discuss the remarkable recent progress in enantioselective transformations via organometallic C?H activation by 3d base metals up to April 2019. 相似文献
8.
Hua‐Ming Xiao Xian Wang Xing Yang Feng Zheng Yu‐Qi Feng 《Journal of mass spectrometry : JMS》2019,54(3):239-249
Hydralazine has been widely employed in the development of drugs, derivatization reagents, and ligands. In the present work, we reported a new type of dehydrogenated ion [M ? H]+ that was produced from the hydralazine derivative of hexanal in electrospray ionization mass spectrometry (ESI‐MS). The formation of [M ? H]+ ions in the ESI‐MS was found to be independent on the mobile phase composition of the liquid chromatography and ESI source parameters. A series of hydralazine derivatives of aldehyde were investigated to confirm this phenomenon. The results showed that hydralazine derivatives of aldehydes that contained an sp3 hybridization carbon with a hydrogen at the α‐position of aldehydes could form the unexpected [M ? H]+ ions, whereas hydralazine derivative of acetone could only generate [M + H]+ ion in the ESI‐MS. We proposed the possible formation mechanism of [M ? H]+ ion for the hydralazine derivatives of aldehydes: the [M ? H]+ ion was possibly formed by the loss a hydrogen molecule (H2) from the protonated ion [M + H]+. The results obtained from density functional theory (DFT) calculations supported this proposed formation mechanism of [M ? H]+ ion. 相似文献
9.
10.
Qingbing Xia Zeheng Lin Weihong Lai Yongfei Wang Cheng Ma Zichao Yan Qinfen Gu Weifeng Wei Jia‐Zhao Wang Zhiqiang Zhang Hua Kun Liu Shi Xue Dou Shu‐Lei Chou 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2019,131(40):14263-14266
Two‐dimensional (2D) superlattices offer promising technological opportunities in tuning the intercalation chemistry of metal ions. Now, well‐ordered 2D superlattices of monolayer titania and carbon with tunable interlayer‐spacing are synthesized by a molecularly mediated thermally induced approach. The 2D superlattices are vertically encapsulated in hollow carbon nanospheres, which are embedded with TiO2 quantum dots, forming a 0D‐2D‐3D multi‐dimensional architecture. The multi‐dimensional architecture with the 2D superlattices encapsulated inside exhibits a near zero‐strain characteristic and enriched electrochemical reactivity, achieving a highly efficient Na+ storage performance with exceptional rate capability and superior long‐term cyclability. 相似文献