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951.
Joseelyne G. Hernández‐Lima Jose E. Barquera‐Lozada Gabriel Cuevas Fernando Cortés‐Guzmán 《Journal of computational chemistry》2015,36(21):1573-1578
The normal and reverse Perlin effect is usually explained by the redistribution of electron density produced by hyperconjugative mechanisms, which increases the electron population within axial or equatorial proton in normal or reverse effect, respectively. Here an alternative explanation for the Perlin effect is presented on the basis of the topology of the induced current density, which directly determines the nuclear magnetic shielding. Current densities around the C? H bond critical point and intra‐atomic and interatomic contributions to the magnetic shielding explain the observed Perlin effect. The balance between intra‐atomic and interatomic contributions determines the difference in the total atomic shielding. Normal Perlin effect is dominated by intra‐atomic part, whereas reverse effect is dominated by interatomic contribution. © 2015 Wiley Periodicals, Inc. 相似文献
952.
A cured model is a useful approach for analysing failure
time data in which some subjects could eventually experience and others never
experience the event of interest. All subjects in the test belong to one of the
two groups: the susceptible group and the non-susceptible group. There has been
considerable progress in the development of semi-parametric models for regression
analysis of time-to-event data. However, most of the current work focuses on
right-censored data, especially when the population contains a non-ignorable
cured subgroup. In this paper, we propose a semi-parametric cure model for current
status data. In general, treatments are developed to both increase the patients'
chances of being cured and prolong the survival time among non-cured patients. A
logistic regression model is proposed for whether the subject is in the susceptible
group. An accelerated failure time regression model is proposed for the event
time when the subject is in the non-susceptible group. An EM algorithm is used
to maximize the log-likelihood of the observed data. Simulation results show that
the proposed method can get efficient estimations. 相似文献
953.
The cusped field thruster is a kind of newly developed electric propulsion device. The electric field at the channel exit and the low frequency oscillation were measured by former experiments. While the formation mechanism of them have not been fully interpreted yet. Through studying two distinguishing typical electron paths in the thrusters, a fluid model is built up along two electron paths, and then the model is completed by synthetically analyzing the effect of two electron paths. Time‐averaged electric potential distribution, anode current oscillation curve and time‐synchronized atom density and ion density distribution are obtained by simulation. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
954.
Three-dimensional models of the quantum-mechanical current density J(B) , induced in the electron cloud of the C(10)H(10) pentaprismane molecule by a magnetic field B applied along the C(5) (a C(2)) symmetry axis, orthogonal to the pentagonal (a rectangular) face, and denoted by B(‖) (B(⊥)), have been constructed. Predictions of near Hartree-Fock quality are reported for the diagonal components of magnetic tensors, magnetizability (ξ), nuclear shielding of carbon (σ(C)) and hydrogen (σ(H)), and virtual shielding at the center of mass (σ(CM)). The complicated spatial features of the induced electronic current-density field have been rationalized and compactly described via stagnation graphs that elucidate the details of its topological structure. A representation of J(B) is obtained by three-dimensional perspective plots and by planar maps visualizing phase portraits of electron flow in a series of molecular domains. Both streamline J(B) /|J(B) | and modulus |J(B) | are analyzed. These graphic tools illustrate the competition between diatropic and paratropic regimes which determine the magnitude of various components of magnetizability and magnetic shielding of hydrogen and carbon nuclei. Shielding density maps show that the differential Biot-Savart law explains magnetic shielding at hydrogen and carbon nuclei, and virtual shielding at ring and cage centers. Similarities and/or contrasting ring current effects on magnetotropicity are discussed by a comparison with triprismane C(6)H(6) and cubane C(8)H(8) . 相似文献
955.
956.
We developed a useful and preparative method based on high-speed counter-current chromatography with mass spectrometry (HSCCC/MS) to purify gentamicin C1a, C2/2a and C1 from standard powder. The analytes were purified on the HSCCC model CCC-1000 (multi-layer coil planet centrifuge) with a volatile two-phase solvent system composed of n-butanol/10% aqueous ammonia solution (50:50, v/v) and detected on an LCMS-2020EV quadrupole mass spectrometer fitted with an electrospray ionization (ESI) source system in positive ionization following scan mode (m/z 100-500). The HSCCC/ESI-MS peaks indicated that gentamicin C1a (m/z 450: [M+H](+)), C2/2a (m/z 464: [M+H](+)) and C1 (m/z 478: [M+H](+)) have the peak resolution values of 1.3 and 1.7 from 30 mg of loaded gentamicin powder. The HSCCC yielded 3.9 mg of gentamicin C1a, 12.6 mg of gentamicin C2/2a and 12.0 mg of gentamicin C1. These purified substances were analyzed by LC/MS with scan positive-mode. Based on the LC/MS chromatograms and spectra of the fractions, analytes were estimated to be over 95% pure. These gentamicin isomers of C1a, C2/2a and C1 were evaluated for their antibacterial activities. The overall results indicate that this approach of HSCCC/MS is a powerful technique for the purification of gentamicin components. 相似文献
957.
Prof. Carlos F. Zinola 《Chemphyschem》2011,12(1):172-183
Studying the growth and stability of anisotropic or isotropic disordered surfaces in electrodeposition is of importance in catalytic electrochemistry. In some cases, the metallic nature of the electrode defines the topography and roughness, which are also controlled by the experimental time and applied external potential. Because of the experimental restrictions in conventional electrochemical techniques and ex situ electron microscopies, a theoretical model of the surface geometry could aid in understanding the electrodeposition process and current distributions. In spite of applying a complex theory such as dynamic scaling method or perturbation theories, the resolution of mixed mass‐/charge‐transfer equations (tertiary distribution) for the electrodeposition process would give reliable information. One of the main problems with this type of distribution is the mathematics when solving the spatial n‐dimensional differential equations. Use of a primary current distribution is proposed here to simplify the differential equations; however it limits wide application of the first assumption. Distributions of concentration profile, current density, and electrode potential are presented here as a function of the distance normal to the surface for the cases of smooth and rough platinum growth. In the particular case of columnar surfaces, cycloid curves are used to model the electrode, from which the concentration profile is presented in a parameterized form after solving a first‐type curvilinear integral. The concentration contour results in a combination of a trigonometric inverse function and a linear distribution leading to a negative concavity curve. The calculation of the current density and electrode potential contours also show trigonometric shapes exhibiting forbidden imaginary values only at the minimal values of the trochoid curve. 相似文献
958.
Mohamed ZAWAY 《数学年刊B辑(英文版)》2019,40(4):567-584
The aim of this paper is to study the operatoron■ on some classes of plurisubharmonic (psh) functions, which are not necessary bounded, where T is a positive closed current of bidimension (q, q) on an open set ? of C~n. The author introduces two classes F_p~T (?) and■ and shows first that they belong to the domain of definition of the operator■. Then the author proves that all functions that belong to these classes are C_T-quasi-continuous and that the comparison principle is valid for them. 相似文献
959.
Color image watermarking has become essential and important copyright protection or authentication scheme. It is noted that most of the existing color image watermarking algorithms are performed only in the single domain (spatial domain or frequency domain), and not to integrate these merits of the different domains. By utilizing the generating principle and distribution feature of the direct current (DC) coefficient, a novel blind watermarking algorithm is proposed for color host images in this paper. Firstly, the Y luminance of host image is divided into 8 × 8 sub-blocks and the DC coefficients of each block are directly calculated in the spatial domain without DCT transform. Secondly, according to the watermark information and the quantization step, the DC coefficients are calculated and their increments are further utilized to modify directly the values of all pixels in the spatial domain instead of the DCT domain to embed watermark. When watermark extraction, only the watermarked image and the quantization step are needed in the spatial domain. Experimental results show that the proposed method not only can resist both traditional signal processing attacks and geometric attacks, but also has more efficient in computational complexity. Comparisons also demonstrate the advantages of the method. 相似文献
960.
根据绝缘栅双极型晶体管(IGBT)的工作特性,研究设计了一种应用于脉冲功率系统的开关驱动电路,实现了IGBT的快速开通。阐述了驱动电路的原理,设计了基于平面变压器的驱动电路,在驱动芯片基础上为栅极提供幅值为60 V脉冲电压,提高开关速度。最后使用Blumlein双线结构对驱动电路的性能进行了实验验证。应用这种驱动方式,提高了集电极电流上升速率。实验结果表明,在1000 V的工作电压下,通过IGBT的脉冲电流达到了470.53 A,脉冲前沿为40 ns,di/dt达到9.41 A/ns,相比数据手册提供的数据,该电流上升速度提高了7.53倍,实现了对IGBT的快速驱动。 相似文献