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991.
张万奎 《湖南理工学院学报:自然科学版》2014,(3):92-94
针对本科机械类专业的主要课程——《机电传动控制》,提出了课程教学与生产实习相结合,课程教学与毕业设计相结合的一体化教学模式,从而理顺课程内容体系,提高学生的工程应用能力. 相似文献
992.
993.
To date, investigations onto the regulation of reactants mass transfer has been paid much less attention in environmental catalysis. Herein, we demonstrated that by rationally designing the adsorption sites of multi-reactants, the pollutant destruction efficiency, product selectivity, reaction stability and secondary pollution have been all affected in the catalytic chlorobenzene oxidation (CBCO). Experimental results revealed that the co-adsorption of chlorobenzene (CB) and gaseous O2 at the oxygen vacancies of CeO2 led to remarkably high CO2 generation, owning to their short mass transfer distance on the catalyst surface, while their separated adsorptions at Brönsted HZSM-5 and CeO2 vacancies resulted in a much lower CO2 generation, and produced significant polychlorinated byproducts in the off-gas. However, this separated adsorption model yielded superior long-term stability for the CeO2/HZSM-5 catalyst, owning to the protection of CeO2 oxygen vacancies from Cl poisoning by the preferential adsorption of CB on the Brönsted acidic sites. This work unveils that design of environmental catalysts needs to consider both of the catalyst intrinsic property and reactant mass transfer; investigations of the latter could pave a new way for the development of highly efficient catalysts towards environmental pollution control. 相似文献
994.
为了设计出具有高性价比的高压大容量STATCOM装置,从工程设计角度对现有的各种结构的STATCOM主电路进行分析,指出:随着各类工程现场对装置性能要求的不断提高和新的高压大容量功率开关管研制成功,部分STATCOM主电路结构受到限制,甚至遭到淘汰.目前应用和技术上较为先进成熟的两种结构是链式(Cascade)结构和MMC结构.两种结构的稳定性、性价比、损耗节能和技术成熟度等比较分析表明,对于高压大容量STATCOM,链式结构最为适用,应成为设计的首选.MMC结构作为一种先进的结构在模块化程度和器件利用率上具有优势,是未来发展的一个重要方向. 相似文献
995.
Dr. Christian Dubiella Dr. Haissi Cui Prof. Dr. Michael Groll 《Angewandte Chemie (International ed. in English)》2016,55(42):13330-13334
Electrophiles are commonly used for the inhibition of proteases. Notably, inhibitors of the proteasome, a central determinant of cellular survival and a target of several FDA‐approved drugs, are mainly characterized by the reactivity of their electrophilic head groups. We aimed to tune the inhibitory strength of peptidic sulfonate esters by varying the leaving groups. Indeed, proteasome inhibition correlated well with the pKa of the leaving group. The use of fluorophores as leaving groups enabled us to design probes that release a stoichiometric fluorescence signal upon reaction, thereby directly linking proteasome inactivation to the readout. This principle could be applicable to other sulfonyl fluoride based inhibitors and allows the design of sensitive probes for enzymatic studies. 相似文献
996.
997.
《Journal of computational chemistry》2018,39(19):1354-1358
Alchemical free energy (AFE) calculations based on molecular dynamics (MD) simulations are key tools in both improving our understanding of a wide variety of biological processes and accelerating the design and optimization of therapeutics for numerous diseases. Computing power and theory have, however, long been insufficient to enable AFE calculations to be routinely applied in early stage drug discovery. One of the major difficulties in performing AFE calculations is the length of time required for calculations to converge to an ensemble average. CPU implementations of MD‐based free energy algorithms can effectively only reach tens of nanoseconds per day for systems on the order of 50,000 atoms, even running on massively parallel supercomputers. Therefore, converged free energy calculations on large numbers of potential lead compounds are often untenable, preventing researchers from gaining crucial insight into molecular recognition, potential druggability and other crucial areas of interest. Graphics Processing Units (GPUs) can help address this. We present here a seamless GPU implementation, within the PMEMD module of the AMBER molecular dynamics package, of thermodynamic integration (TI) capable of reaching speeds of >140 ns/day for a 44,907‐atom system, with accuracy equivalent to the existing CPU implementation in AMBER. The implementation described here is currently part of the AMBER 18 beta code and will be an integral part of the upcoming version 18 release of AMBER. © 2018 Wiley Periodicals, Inc. 相似文献
998.
连续变化法测定络合物组成和稳定常数是大学化学中的经典学生实验。但针对1:2和1:3的络合反应,实验教科书的设计中可能出现数据点过少也就是溶液配制过少的问题。如果按照要求配制溶液,由于没有完全反应的混合溶液,而其他混合溶液给出的数据又都呈良好的线性,就缺少了用来估算曲线的数据点,结果是,将没有足够的数据对稳定常数进行估算。对这种可能出现的数据点过少的实验设计的原因、结果和解决方法进行了探讨。 相似文献
999.
Anastasios K. Papageorgiou Evangelos M. Papoutsis-Kiachagias Kyriakos C. Giannakoglou 《国际流体数值方法杂志》2022,94(1):59-75
This article contributes to the development of methods for shape optimization under uncertainties, associated with the flow conditions, based on intrusive Polynomial Chaos Expansion (iPCE) and continuous adjoint. The iPCE to the Navier–Stokes equations for laminar flows of incompressible fluids is developed to compute statistical moments of the Quantity of Interest which are, then, compared with those obtained through the Monte Carlo method. The optimization is carried out using a continuous adjoint-enabled, gradient-based loop. Two different formulations for the continuous adjoint to the iPCE PDEs are derived, programmed, and verified. Intrusive PCE methods for the computation of the statistical moments require mathematical development, derivation of a new system of governing equations and their numerical solution. The development is presented for a chaos order of two and two uncertain variables and can be used as a guide to those willing to extend this development to a different set of uncertain variables or chaos order. The developed method and software, programmed in OpenFOAM, is applied to two optimization problems pertaining to the flow around isolated airfoils with uncertain farfield conditions. 相似文献
1000.
Kamlesh Madhusudan Makwana Dr. Radhakrishnan Mahalakshmi 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(12):4147-4156
A popular strategy in the de novo design of stable β‐sheet structures for various biomedical applications is the incorporation of aromatic pairs at the non‐hydrogen‐bonding (NHB) position. However, it is important to explicitly understand how aryl pair packing at the NHB region is coordinated with backbone structural rearrangements, and to delineate the benefits and drawbacks associated with stereopositional choice of dissimilar aromatic pairs. Here, we probe the consequences of flipped Trp/Tyr pairs by using engineered permutants at the NHB position of dodecapeptide β‐hairpins, proximal and distal to the turn. Extensive conformational analysis of these peptides using NMR and CD spectroscopy reveal that a classic Edge‐to‐Face and Face‐to‐Edge geometry at the proximal and distal aromatic pairs, respectively, in YW‐WY, is the most stabilizing. Such a preferred packing geometry in YW‐WY results in a highly twisted β‐sheet backbone, with Trp always providing a ‘Face’ orientation to its dissimilar aromatic partner Tyr. Flipping the proximal and/or distal aromatic pair distorts the ideal T‐shaped geometry, and results in alternate aryl arrangements that can adversely affect strand twist and β‐sheet stability. Our study reveals the existence of a strong stereopositional influence on the packing of dissimilar aromatic pairs. Our findings highlight the importance of modeling physical interaction forces while designing protein and peptide structures for functional applications. 相似文献