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2.
当前锂离子动力电池电化学模型存在模型复杂、建模难度大、计算效率低、老化评估效果差的问题,本文提出一种考虑电池衰退老化的机理模型(ADME).本文首先通过有限差分法对伪二维(P2D)电化学模型进行离散降阶处理,得到简化伪二维(SP2D)模型.在SP2D模型的基础上,基于阴阳两极发生的副反应导致的衰退老化现象,提出一种考虑电池衰退老化的机理模型.其次,使用多变量偏差补偿最小二乘法实现模型参数辨识.最后通过动力电池衰退老化性能循环实验,对比分析了恒流、脉冲工况下SP2D模型和ADME模型的终端电压输出.结果表明:ADME模型较为简单、计算效率和估算精度高,可以有效评估电池容量老化衰退,得到理想的锂离子动力电池外特性曲线. 相似文献
3.
Nitin P. Lobo K.V. Ramanathan T. Narasimhaswamy 《Magnetic resonance in chemistry : MRC》2020,58(11):988-1009
In this review, methods to obtain the orientational order of topologically variant molecular mesogens using by one- and two-dimensional (2D) solid-state 13C nuclear magnetic resonance (NMR) spectroscopy are described. Besides 13C chemical shifts, the 13C─1H dipolar couplings measured from 2D-separated local field (SLF) technique are used for computing the order parameters of a variety of mesogens. The investigated molecules are composed of a variable number of rings in the core, that is, core ranging from simply one ring to five rings. Among the mesogens investigated, a special focus has been placed on mesogens with thiophene rings, which are gaining popularity as liquid crystalline organic semiconductors. The replacement of a phenyl ring by thiophene in the core has a dramatic influence on molecular topology, as observed from the measured order parameters. The review highlights the advantages of the 2D SLF method for understanding the local dynamics and for mapping the topology of mesogens through the measured order parameters. SLF NMR studies of as many as 24 molecular mesogens that vary in terms of the molecular structure as well as topology are covered in the review. Order parameters of the rings have been estimated from the 13C─1H dipolar couplings in the nematic, smectic A, smectic C, and tilted hexatic phases as well as in B1 and B2 mesophases of various mesogens. It is anticipated that, in the years to come, the 2D SLF method would provide advanced molecular information on structurally complex mesogens that are emerging in liquid crystal science through the incessant efforts of synthetic chemists. The mini review covers the orientational order of topologically variant molecular mesogens determined by 1D and 2D solid-state 13C NMR spectroscopy. Accordingly, rod-like, bent-core, and thiophene mesogens were subjected to 2D SLF measurements to get the order parameters from which the topology was established. The replacement of phenyl ring by thiophene and its influence on order parameters as well as on molecular topology is also discussed. 相似文献
4.
Prof. Dr. Yoshio Teki 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(5):980-996
Recently, the potential use of organic π-radicals and related spin systems has been expanded to modern technological applications. The unique excited-state dynamics of organic π-radicals can be useful to improve the stability of photochemically unstable organic compounds, make the polarization transfer applicable to information technology, and achieve effective up-conversion of interest for luminescence bioimaging, among others. Furthermore, highly luminescent stable π-radicals have been recently reported, which are especially interesting for application in organic light-emitting devices owing to their potential to provide an internal quantum efficiency of 100 %. Thus, the excited-state nature of stable π-radicals as well as the control of their excited-state spin dynamics are emerging topics both in terms of fundamental science and related technological applications. In this minireview, we focus on the excited-state dynamics of both photostable non(weakly)-luminescent and luminescent π-radicals, which are opposites of each other. In particular, we cover the following topics: 1) effective generation of high-spin photoexcited states and control of the excited-state dynamics by using non-luminescent π-radicals, 2) unique excited-state dynamics of luminescent π-radicals and radical excimers, and 3) applications utilizing excited-state dynamics of π-radicals. 相似文献
5.
The dependence of the beam propagation factor (M
2 parameter) with the absorbed pump power in the case of monolithic microchip laser under face-cooled configuration is extensively
studied. Our investigations show that the M
2 parameter is related to the absorbed pump power through two parameters (α and β) whose values depend on the laser material properties and laser configuration. We have shown that one parameter arises due
to the oscillation of higher order modes in the microchip cavity and the other parameter accounts for the spherical aberration
associated with the thermal lens induced by the pump beam. Such dependency of M
2 parameter with the absorbed pump power is experimentally verified for a face-cooled monolithic microchip laser based on Nd3+ -doped GdVO4 crystal and the values of α and β parameters were estimated from the experimentally measured data points. 相似文献
6.
使用SAC/SAC-CI方法,利用D95(d),6-311g**以及cc-PVTZ等基组,对B2分子的基态(X3Σg-)和第一激发态(A3Σu-)的平衡结构和谐振频率进行了优化计算.通过对3个基组的计算结果的比较,得出了D95(d)基组为3个基组中的最优基组的结论;使用D95(d)基组,利用SAC的GSUM(Group Sum of Operators)方法对基态(X3Σg-),SAC-CI的GSUM方法对激发态(A3Σu-)进行单点能扫描计算,用正规方程组拟合Murrell-Sorbie函数,得到了相应电子态的完整势能函数;从得到的势能函数计算了与基态(X3Σg-)和第一激发态(A3Σu-)相对应的光谱常数(Be,αe,ωe和ωeχe),结果与实验数据吻合. 相似文献
7.
8.
对红外热像仪参数双黑体测量装置的工作原理进行了介绍。装置采用双黑体及反射型靶标为温差辐射源,可实现黑体温度温差准直辐射的定期校准和红外热像仪参数测量量值的溯源,也可实现红外热像仪参数的可控性,以及对它进行稳定的、可复现的精确测量。推导出利用红外热像仪参数双黑体测量装置测量信号传递函数SiTF数学模型,分析了红外热像仪参数测量装置的客观因素——仪器常数,针对仪器常数对SiTF测量的影响进行了试验。试验结果表明,仪器常数对红外热像仪SiTF参数测量精度影响较大,并同时影响时域与空域NETD及3D噪声的准确测量。 相似文献
9.
K. Batra V. Prasad M. Mohan 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,20(2):191-198
The scattering of heavy ion with a multilevel Rydberg atom in the presence of an electromagnetic field is studied. The interaction
of Rydberg atom and the e.m field is explored using non-perturbative quasi-energy technique. Although the results are presented
for selected excitations but in actual calculations we have included many levels of the atom. The effect of various parameters
are shown on collisional excitation process. As an illustration detailed calculations are performed for the inelastic proton-Na
Rydberg atom collision accompanied by the transfer of photons and the effects of dressing due to the field are considered.
The emphasis of the present work is on collision induced transitions especially the case that involves change of orbital as
well as principal quantum number.
Received 26 December 2001 / Received in final form 8 April 2002 Published online 19 July 2002 相似文献
10.
Evolutionary algorithms are applied as problem-independent optimization algorithms. They are quite efficient in many situations. However, it is difficult to analyze even the behavior of simple variants of evolutionary algorithms like the (1+1) EA on rather simple functions. Nevertheless, only the analysis of the expected run time and the success probability within a given number of steps can guide the choice of the free parameters of the algorithms. Here static (1+1) EAs with a fixed mutation probability are compared with dynamic (1+1) EAs with a simple schedule for the variation of the mutation probability. The dynamic variant is first analyzed for functions typically chosen as example-functions for evolutionary algorithms. Afterwards, it is shown that it can be essential to choose the suitable variant of the (1+1) EA. More precisely, functions are presented where each static (1+1) EA has exponential expected run time while the dynamic variant has polynomial expected run time. For other functions it is shown that the dynamic (1+1) EA has exponential expected run time while a static (1+1) EA with a good choice of the mutation probability has polynomial run time with overwhelming probability. 相似文献