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121.
Usually, numerical self-consistent calculations predict a much larger intrinsic bistability region than actually is measured in resonant tunneling diodes (RTDs). In addition, numerical calculations have shown that scattering in the well reduces bistability. We used a unified treatment of current flowing from continuum states and emitter quasi-bound states to show numerically and analytically that not only the scattering in the quantum well but also the scattering in the emitter reduces bistability. Moreover, within the Hartree approximation, bistability occurs by tunneling resonantly between emitter quasi-bound state and well quasi-bound state as a pitchfork bifurcation. 相似文献
122.
Hui Zhang Ming-Li Xiang Chang-Ying Ma Qi Huang Wei Li Yang Xie Yu-Quan Wei Sheng-Yong Yang 《Molecular diversity》2009,13(2):261-268
In this investigation, three-class classification models of aqueous solubility (logS) and lipophilicity (logP) have been developed
by using a support vector machine (SVM) method combined with a genetic algorithm (GA) for feature selection and a conjugate
gradient method (CG) for parameter optimization. A 5-fold cross-validation and an independent test set method were used to
evaluate the SVM classification models. For logS, the overall prediction accuracy is 87.1% for training set and 90.0% for
test set. For logP, the overall prediction accuracy is 81.0% for training set and 82.0% for test set. In general, for both
logS and logP, the prediction accuracies of three-class models are slightly lower by several percent than those of two-class
models. A comparison between the performance of GA–CG–SVM models and that of GA–SVM models shows that the SVM parameter optimization
has a significant impact on the quality of SVM classification model.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users.
Hui Zhang and Ming-Li Xiang are contributed equally. 相似文献
123.
J. F. R. Archilla J. Cuevas B. Snchez-Rey A. Alvarez 《Physica D: Nonlinear Phenomena》2003,180(3-4):235-255
Whereas there exists a mathematical proof for one-site breathers stability, and an unpublished one for two-site breathers, the methods for determining the stability properties of multibreathers rely on numerical computation of the Floquet multipliers or on the weak nonlinearity approximation leading to discrete nonlinear Schrödinger equations. Here we present a set of multibreather stability theorems (MST) that provides a simple method to determine multibreathers stability in Klein–Gordon systems. These theorems are based in the application of degenerate perturbation theory to Aubry’s band theory. We illustrate them with several examples. 相似文献
124.
In this work actin is used to illustrate connection of protein fluorescence characteristics with its structure. On one hand, it has been demonstrated what kind of information about the contribution of each tryptophan residues to the bulk fluorescence spectrum can be obtained from the special analysis of protein three-dimensional structure. On the other hand, potentials of intrinsic fluorescence for elucidation of proteins structure, dynamics and processes of folding-unfolding are shown. In particular, using this method a new essentially unfolded kinetic intermediate state of actin was detected and characterized, and the place of inactivated actin and its kinetic predecessor in the process of folding-unfolding was determined. It has been revealed that inactivated actin is not intermediate state between the native and completely unfolded states, as it has been accepted before, but a result of protein misfolding. On the basis of the obtained data a new model of actin folding-unfolding pathway has been proposed. 相似文献
125.
126.
127.
Zhi-Dong Zhang 《Physics letters. A》2008,372(4):498-509
A nematic liquid crystal slab composed of N molecular layers is investigated using a simple cubic lattice model, based upon the molecular pair potential which is spatially anisotropic and dependent on elastic constants of liquid crystals. A perfect nematic order is assumed in the theoretical treatment, which means the orientation of the molecular long axis coincides with the director of liquid crystal and the total free energy equals to the total interaction energy. We present a modified Gruhn-Hess model, which is relative to the splay-bend elastic constant K13. Furthermore, we have studied the free nematic interfacial behavior (intrinsic anchoring) by this model in the assumption of the perfect nematic order. We find that the preferred orientation at the free interface and the intrinsic anchoring strength change with the value of modification, and that the director profile can be determined by the competition of the intrinsic anchoring with external forces present in the system. Also we simulate the intrinsic anchoring at different temperatures using Monte Carlo method and the simulation results show that the intrinsic anchoring favors planar alignment and the free interface is more disordered than the bulk. 相似文献
128.
经验模态分解(EMD)是一种新的时频分析方法,经EMD分解后的各个固有模态函数(IMF)突出了原始信号的局部特征,从而可以区分噪声和有用信号。基于此,结合高光谱遥感数据的光谱变化特征,提出了一种基于经验模态分解的高光谱遥感数据去噪方法。通过对理论数据的实验表明,数据中的噪声无论是高斯分布还是均匀分布,数据经EMD分解后,噪声都主要集中在前几个特定的IMF,对相应的IMF进行滤波处理后并与其他IMF分量进行重构就可得到去噪信号,与小波去噪结果相比较,这种方法效果更好。最后把该去噪方法应用于野外实测的油膜高光谱数据去噪,实验结果表明,该方法能准确、有效地去除高光谱遥感数据的噪声。 相似文献
129.
Z. Barticevic M. Pacheco C. A. Duque L. E. Oliveira 《The European Physical Journal B - Condensed Matter and Complex Systems》2007,56(4):303-309
A theoretical study, within the effective-mass approximation, of the
effects of applied magnetic fields on excitons in disk-shaped
GaAs-Ga1-xAlxAs quantum dots is presented. Magnetic fields
are applied in the growth direction of the semiconductor
heterostructure. The parity of the excitonic envelope function
related to the simultaneous exchange of ze→-ze and
zh→-zh is a good quantum number and the wave
function, both the odd and even parity, can be expanded as
combination of products of the quantum well electron and hole
function that preserves the parity with appropriate Gaussian
functions. We have simultaneously obtained the energies of the
excitonic ground and excited states and discuss the behavior of
these energies as a function of the magnetic field. 相似文献
130.
Aqueous solutions of Nal containing CCl4 and MgCl2 at various concentrations were irradiated under air with 1 MHz ultrasound and the yield of I3− was determined. The yield was not affected by MgCl2 at concentrations up to 0.1 M. This contrasts with the finding of Lepoint and co-workers, who reported a sharp minimum in the yield at a MgCl2 concentration of 2.5 × 10−3M, the yield decreased to 60% at 1 M MgCl2, the reason being the lower solubility of CCl4 at high MgCl2 concentrations. In the absence of CCl4, another dependence on the MgCl2 concentration was observed: the yield was not affected up to 1 M, and at higher MgCl2 concentrations the yield rapidly decreased owing to the increased viscosity of the solution. On the basis of these observations, there is no strong reason to postulate an electrical mechanism for the initiation of chemical reactions in the cavitation bubbles. 相似文献