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71.
Zhang  Jing  Li  Shi  Ahn  Choon Ki  Xiang  Zhengrong 《Nonlinear dynamics》2020,100(2):1243-1255
Nonlinear Dynamics - This paper considers the distributed adaptive neural consensus tracking control problem for a class of uncertain nonaffine nonlinear multi-agent systems. By making use of the...  相似文献   
72.
钱鑫  田晏  罗欣欣  潘静苗  邓苏雅  黄一可  付琦峰  夏之宁 《色谱》2020,38(10):1170-1178
毛细管电泳(CE)在新药研发领域显示着重要的应用前景。CE使用水溶液介质作为实验体系,保证了药物筛选在类似于生命介质的环境中进行,优于其他传统体外仪器筛选方法。除了维持被筛选分子和作用对象的生物活性外,CE筛选过程着重突出配体与受体之间的相互作用。毛细管电泳药物筛选瞄准与药理学理论相关的重要参数,如结合常数Kb 、结合速率常数Kon 和解离速率常数Koff ,有利于模拟并预测机体内靶标与药物之间的相互作用过程。该文回顾了毛细管电泳进行药物筛选的历史,评述了毛细管电泳药物筛选方法所依据的理论和相对成熟的各种常用方法,并抽取了部分典型实例以及相关技术进行说明,对以亲和毛细管电泳、动力学毛细管电泳为手段的药物筛选方法进行了介绍,包括分子和细胞层次的药物筛选,以及针对不同类型的候选药物的研究工作都有提及。毛细管电泳与多种技术的联用,包括与质谱以及化学发光等联用发挥了更大的效能。联用方法还应用于中药有效成分的筛选。毛细管电泳在DNA编码化合物库筛选中将有良好应用前景。馏分收集的发展为筛选药物提供了广阔前景,它配合指数富集配体系统进化技术为毛细管电泳药物筛选提供了更多可能。总之,毛细管电泳多样可选的药物筛选方法和技术将为新概念的药物筛选与药物评价提供有力支撑。  相似文献   
73.
Chen  Hao  Xu  Dongping 《Numerical Algorithms》2020,83(4):1349-1372
Numerical Algorithms - This paper is concerned with the construction of efficient preconditioners for systems arising from implicit Runge-Kutta time discretization methods for one-dimensional and...  相似文献   
74.
A new framework for development of order 3.0 weak Taylor scheme towards stochastic modeling and dynamics of coupled nonlinear systems is presented. The proposed method is derived by including third order multiple stochastic integral terms of Ito–Taylor expansion and developing them for a wide class of stochastic nonlinear systems. For computing the system responses of linear and a wide class of nonlinear structural systems, the use of lower order integration schemes is sufficient. But for highly non-linear stochastically driven systems like base isolated hysteretic systems and degrading stochastic systems the evaluation of higher order terms is necessary. Additionally, the use of higher order integration schemes for stochastic dynamics of higher dimensional nonlinear systems remains a challenge due to the arising mathematical complexities with the increase in the number of DOFs (degrees-of-freedom) which really necessitates the development of the proposed algorithm. The proposed algorithm is verified using a representative class of coupled nonlinear system in presence and absence of nonlinear degradation and hysteretic oscillators. The efficiency of the proposed numerical scheme over classical integration schemes is demonstrated through a practical engineering problem. Finally, an automated extension of the proposed algorithm is presented by generalizing it for a system of N-DOFs.  相似文献   
75.
76.
Transformation hydrodynamics and the corresponding metamaterials have been proposed as a means to exclude the drag force acting on an object. Here, we report a strategy to deploy the hydrodynamic cloaks in a more practical manner by assembling different-shaped cloaking parts. Our strategy is to first model a square-shaped cloak and a carpet cloak and then combine them to conceal a more complex-shaped space in the three-dimensional hydrodynamic flow. With the derivation of transformation hydrodynamics, the coordinate transformations for each hydrodynamic cloaking are demonstrated with the calculated viscosity tensors. The pressure and velocity fields of the square, triangular (carpet), and exemplary three-dimensional house-shaped cloaks are numerically simulated, thus showing a cloaking effect and reduced drag. This study suggests an efficient way of cloaking complex architectures from fluid-dynamic forces.  相似文献   
77.
《中国化学快报》2020,31(5):1305-1308
This study presents a facile strategy for the formation of highly substituted butterfly 1,4-adducts/9,10-adducts via the Diels–Alder reaction of benzyne intermediates. The method achieves very good to excellent yields of the respective anthracene derivatives under mild conditions. This practical protocol is compatible with a variety of sensitive functional groups and provides access to difunctionalized bridge 1,4-adducts/9,10-adducts.  相似文献   
78.
我国海上油田开采起步较晚,大部分油田处于浅水区,因此,在设计管道时,应充分考虑由浅水区波浪引起的管道周围海床渗流力。根据浅水波相关假设,考虑自由水面非线性影响,推导出椭圆余弦波的波面方程,在此基础上进一步得到一个关于速度势的表达式,并根据该表达式得出作用于海床表面的波压公式。考虑海床土的压缩性,推导出一阶近似椭圆余弦波作用下浅水区埋置管道周围海床的渗流压力解析解,最后将计算结果与大型水槽试验及以往研究成果作对比。结果表明,在椭圆余弦波的作用下,由一阶椭圆余弦波理论得到的计算结果与试验结果规律基本一致,与相似工况下的现有理论成果数值基本相同,具有一定的可行性和工程价值。  相似文献   
79.
Higher-order cycloadditions, particularly [8+2] cycloadditions, are a straightforward and efficient strategy for constructing significant medium-sized architectures. Typically, configuration-restrained conjugated systems are utilized as 8π-components for higher-order concerted cycloadditions. However, for this reason, 10-membered monocyclic skeletons have never been constructed via catalytic asymmetric [8+2] cycloaddition with high peri- and stereoselectivity. Here, we accomplished an enantioselective [8+2] dipolar cycloaddition via the merger of visible-light activation and asymmetric palladium catalysis. This protocol provides a new route to 10-membered monocyclic architectures bearing chiral quaternary stereocenters with high chemo-, peri-, and enantioselectivity. The success of this strategy relied on the facile in situ generation of Pd-containing 1,8-dipoles and their enantioselective trapping by ketene dipolarophiles, which were formed in situ via a photo-Wolff rearrangement.  相似文献   
80.
Organic solar cell of silol dithiophene based D2-A-D1-A-D2/PC71BM (D: donor part; A: acceptor part; 1 and 2 denote different units) possesses promising power conversion efficiency. Researchers have studied D2-A-D1-A-D2 molecules carefully, including the effects of the different number of terminal thiophenes, the different central moiety (D1), and the length of the alkyl chain. However, there are few investigations, especially theoretical studies, on the influences of different A (acceptor) units on the properties of D2-A-D1-A-D2 molecule. In the present work, we have designed and modeled five new D2-A-D1-A-D2 (D2 = bithiophene and D1 = silol dithiophene) donors by changing A units (A = diketopyrrolopyrrole, naphtho[1,2-c:5,6-c′]bis[1,2,5]thiadiazole, 5-fluoro-2,1,3-benzoselenadiazole, benzobisthiadiazole, and thiazolo[5,4-d]thiazole). We have applied density functional theory (DFT) and time-dependent DFT to predict their ground-state electronic structures and the UV–vis spectra, and the open circuit voltages (Vocs) of organic solar cells of D2-A-D1-A-D2/PC71BM. Based on the calculated results, we find that bithiophene thiazolo[5,4-d]thiazole siloldithiophene (BTTS) (D2 = bithiophene, A = thiazolo[5,4-d]thiazole, D1 = silol dithiophene) possesses the highest lowest unoccupied molecular orbital (−2.60 eV) and the lowest highest occupied molecular orbital (−5.33 eV) energies, and the strongest absorption in the visible region. Besides, the solar cell of BTTS/PC71BM has the highest Voc of 1.02 V. These results indicate that it may be a promising donor. In contrast, bithiophene benzobisthiadiazole siloldithiophene (BBBS) (A = benzobisthiadiazole) has low absorption strength in the visible region, which indicates that it may not be a suitable donor material.  相似文献   
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