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991.
A [3+3+3]-fragment coupling strategy was successfully applied in the synthesis of the nonacyclopeptide of chlorofusin, a potent natural antagonist against p53-MDM2 interactions. The accomplished convergent synthesis includes parallel syntheses of three tripeptides and their sequential assembly, and macrocyclization of the linear precursor to the required 27-membered nonacyclopeptide. 相似文献
992.
1INTRODUCTIONCoppercomplexeshavealargevarietyofstericstructuresandplayanimportantroleincatalysingtheenzymaticactivities,which... 相似文献
993.
Prof. Dr. Karen Hemelsoet Qingyun Qian Thierry De Meyer Kristof De Wispelaere Dr. Bart De Sterck Prof. Dr. Bert M. Weckhuysen Prof. Dr. Michel Waroquier Prof. Dr. Veronique Van Speybroeck 《Chemistry (Weinheim an der Bergstrasse, Germany)》2013,19(49):16595-16606
The optical absorption properties of (poly)aromatic hydrocarbons occluded in a nanoporous environment were investigated by theoretical and experimental methods. The carbonaceous species are an essential part of a working catalyst for the methanol‐to‐olefins (MTO) process. In situ UV/Vis microscopy measurements on methanol conversion over the acidic solid catalysts H‐SAPO‐34 and H‐SSZ‐13 revealed the growth of various broad absorption bands around 400, 480, and 580 nm. The cationic nature of the involved species was determined by interaction of ammonia with the methanol‐treated samples. To determine which organic species contribute to the various bands, a systematic series of aromatics was analyzed by means of time‐dependent density functional theory (TDDFT) calculations. Static gas‐phase simulations revealed the influence of structurally different hydrocarbons on the absorption spectra, whereas the influence of the zeolitic framework was examined by using supramolecular models within a quantum mechanics/molecular mechanics framework. To fully understand the origin of the main absorption peaks, a molecular dynamics (MD) study on the organic species trapped in the inorganic host was essential. During such simulation the flexibility is fully taken into account and the effect on the UV/Vis spectra is determined by performing TDDFT calculations on various snapshots of the MD run. This procedure allows an energy absorption scale to be provided and the various absorption bands determined from in situ UV/Vis spectra to be assigned to structurally different species. 相似文献
994.
995.
996.
A molecular dynamic method in conjunction with a statistic test has been utilized to model chiral recognition of a -phenylethylamine on heptakis (2,6-di-O-butyl-3-O-butyryl)-b -cyclodextrin in gas chromatography. The modelling data correlated with the chromatographic elution order, and indicated that the preferred site of a -phenylethylamine is the interior of cavity. 相似文献
997.
Zhao Qian Feng Songlin Ning Dong Zhu Haijun Wang Zhiming Deng Yuanming 《Journal of Crystal Growth》1999,200(3-4)
In situ ultra high vacuum scanning probe microscopy (SPM) and low-temperature photoluminescence (PL) studies have been performed on Si-doped self-organized InAs/GaAs quantum dots samples to investigate the Si doping effects. Remarkably, when Si is doped in the sample, according to the SPM images, more small dots are formed when compared with images from undoped samples. On the PL spectra, high-energy band tail which correspond to the small dots appear, with increasing doping concentration, the integral intensity of the high-energy band tail account for the whole peak increase too. We relate this phenomenon to a model that takes the Si atom as the nucleation center for QDs formation. 相似文献
998.
Bahni Ray P. Dinesh Sankar Reddy Dipankar Bandyopadhyay Sang Woo Joo Ashutosh Sharma Shizhi Qian Gautam Biswas 《Theoretical and Computational Fluid Dynamics》2012,26(1-4):311-318
Instability of a thin electrolyte film undergoing a direct current electroosmotic flow has been investigated. The film with a compliant electrolyte–air interface is flowing over a rigid charged substrate. Unlike previous studies, inclusion of the Maxwell stresses in the formulation shows the presence of a new finite wavenumber shear-flow mode of instability, alongside the more frequently observed long-wave interfacial mode. The shear mode is found to be the dominant mode of instability when the electrolyte–solid and electrolyte–air interfaces are of opposite charge or of same charge but have very large zeta-potential at the electrolyte–air interface. The conditions for mode-switch (interfacial to shear) and the direction of the travelling waves are discussed through stability diagrams. Interestingly, the analysis shows that when the interfaces are of nearly same zeta potential, the ‘free’ electrolyte–air interface behaves more like a ‘stationary’ wall because of the ion transport in the reverse direction of the flow. 相似文献
999.
A method by which to accomplish formal threonine ligation has been developed. The method accomplishes ligations of two peptide domains. We have also demonstrated the ability to successfully ligate two independent glycopeptide domains. 相似文献
1000.
YUAN ChunXue XIN Qian LIU HuiJun WANG Lei JIANG MinHua & TAO XuTang State Key Laboratory of Crystal Materials Sh ong University Jinan China 《中国科学B辑(英文版)》2011,(4)
Trger's base (TB) is a well-known chiral molecule with rigid concave shape that makes it applicable in different areas such as superamolecular chemistry,molecular recognition,biological labeling,and so on.In this article,we briefly summarize some recent research progress in the optoelectronic properties of novel TB analogues and their applications in optoelectronic field with emphasis on the developments achieved in our group. 相似文献