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1.
《Physics letters. A》2020,384(22):126428
We determine the classical diffusion of two dimensional Dirac-like quasiparticles, in the presence of conserving spin disorder (scattering off electric impurities) and non-conserving spin disorder (scattering off magnetic impurities). We use the Kubo formula for the conductivity tensor and employ diagrammatic perturbation theory to calculate the vertex correction and the renormalisation of the current operator for both electric and magnetic scattering. Scattering off electric impurities is isotropic and the current operator renormalised to two times the bare current operator irrespective of the direction of the dynamics, as usual for Dirac-like fermions. For magnetic scattering the renormalisation of the current operator depends on the direction of the dynamics and on the polarisation of the magnetic impurities, making the system anisotropic. We calculate the anisotropic magnetoresistance (AMR) and analyse it as a function of the ratio of the strength of the electric to the magnetic scattering potentials, for short range Gaussian correlation. 相似文献
2.
ABSTRACTWe theoretically investigated the influences of the magnetic field and light polarisation on the electronic and optical properties of a GaAs/GaAlAs pseudo-elliptic quantum ring, modelled by an outer ellipsis and an inner circle, in the presence of the Rashba and Dresselhaus spin–orbit interactions and Zeeman effect. We show that Aharonov-Bohm oscillations of the energy spectrum are not affected by the presence of the Zeeman effect alone but, in the presence of Rashba and Dresselhaus spin–orbit couplings, the periodicity of certain levels becomes hardly definite. The Zeeman effect generally enhances/diminishes the separation levels produced by Rashba/Dresselhaus interactions (SOI) and when both types of SOI are considered, the effect depends on their relative strength. The magnetic field can trigger spin-flip for each type of spin–orbit interaction and Zeeman effect or their combination through anticrossings in the energy spectra. Our results reveal that the absorption spectra are very sensitive to the magnetic field and light polarisation. For all polarisations considered, the magnetic field increment leads to the redshift or blueshift of some particular peaks (an effect of this ring geometry) and a better separation of the peaks. The x-polarised light determines spectra with many small, but separated peaks while the circular polarised light leads to spectra with large peaks of high amplitude. 相似文献
3.
External electric field effect on electronic properties and charge transfer in CoI2/NiI2 spinterface
Iuliia Melchakova Evgenia A. Kovaleva Natalia S. Mikhaleva Felix N. Tomilin Sergey G. Ovchinnikov Alexander A. Kuzubov Paul Avramov 《International journal of quantum chemistry》2020,120(3):e26092
Electronic structure and spin-related properties of CoI2/NiI2 heterostructure were studied by means of density functional theory. It was shown that the electronic structure at the Fermi level can be characterized by a band gap. The effect of the external electric field on charge transfer and electronic properties of the CoI2/NiI2 interface was investigated, and it was found that band gap width depends on the strength of the applied electric field, switching its nature from semiconducting to a half-metallic one. An easy control of the electronic properties and promising spin-polarized nature of the CoI2/NiI2 spinterface allows the heterostructure to be used in spin-related applications. 相似文献
4.
Despite significant advances in first-principles calculation methods, there is no single exchange-correlation functional which predicts the ground state of materials without an error yet. We investigated how accurately ground states of binary semiconductors are described using 16 exchange-correlation functionals (with or without van der Waals corrections). LDA, PBEsol, SCAN (with or without rVV10 correction), and PBE with D3 van der Waals correction (zero or Becke-Johnson damping) show good predicting power. The lattice constants of stable phases were slightly better described by SCAN, PBEsol, PBE+D3 (Becke-Johnson damping), and MS2. We also propose a set of functionals to double-check the stability of new materials based on the majority vote. 相似文献
5.
电感耦合等离子体质谱法(ICP-MS)标准模式测定地质样品中Cu和Zn时,样品溶液中Ti在高温下易形成TiO+和 TiOH+离子产生重叠干扰,使测定值偏离真值而影响测定结果。采用氢氟酸-高氯酸-硝酸消解、王水复溶样品,通过多级在线校正46Ti16O+,消除TiO+和 TiOH+离子重叠干扰,研究了单质Ti与46Ti16O+、质荷比63、64、65、66离子间存在的关系,建立了一种电感耦合等离子体质谱(ICP-MS)法测定地质样品中Cu和Zn的分析方法。实验结果表明:单质Ti对Cu和Zn产生的干扰值与其质量浓度呈非简单的正相关性,TiO+产生的干扰离子质荷比65离子强度比63高,质荷比64离子强度比66 高; 46Ti16O+对质荷比63、66离子干扰增量值与单质Ti质量浓度变化无关;62Ni对46Ti16O+产生同量异位素重叠干扰,测定值须校正来自62Ni的贡献。ICP-MS测定地质样品中Cu和Zn时应选择测量同位素63Cu和66Zn,其检出限(n=7)分别为0.35 μg/g和0.63 μg/g。经有证标准物质验证,测定值与认定值吻合,准确度(RE)<8.6%,精密度(RSD,n=6)<5%。本方法适用于ICP-MS测定地质样品中Cu和Zn的质谱干扰消除,满足地质分析要求。 相似文献
6.
Roberto Kawakami Harrop Galvão Sófacles Figueredo Carreiro Soares Marcelo Nascimento Martins Maria Fernanda Pimentel Mário César Ugulino Araújo 《Analytica chimica acta》2015
This paper proposes a new method for calibration transfer, which was specifically designed to work with isolated variables, rather than the full spectrum or spectral windows. For this purpose, a univariate procedure is initially employed to correct the spectral measurements of the secondary instrument, given a set of transfer samples. A robust regression technique is then used to obtain a model with low sensitivity with respect to the univariate correction residuals. The proposed method is employed in two case studies involving near infrared spectrometric determination of specific mass, research octane number and naphthenes in gasoline, and moisture and oil in corn. In both cases, better calibration transfer results were obtained in comparison with piecewise direct standardization (PDS). The proposed method should be of a particular value for use with application-targeted instruments that monitor only a small set of spectral variables. 相似文献
7.
8.
近年来,随着各国侦查卫星系统的不断完善,有效根据观测数据预测卫星的轨迹,同时建立适当的规避防范措施变得尤为重要·通过研究地面监测站监测的卫星数据及地理信息,提出了一种基于三维坐标系变换的卫星轨迹求解模型,具体建立模型的方法为:建立4种不同的坐标系,通过卫星坐标在4种坐标系中的变换,将地面检测站检测到的卫星数据进行处理,拟合出卫星的六个运动参数,得出卫星运动轨迹方程,并较为精准的预测卫星被观测站观测到的情况,以及任意时刻星下点的经纬度坐标.针对卫星的运动情况,为满足我方军事目标的运动需求,根据新疆地图建立军队行军路线的有向图,然后,在考虑卫星规避的情况下对每条路线进行模拟分析,最终,通过每条路线模拟分析的结果进行比对,得出最优的行军路线. 相似文献
9.
10.
《Journal of computational chemistry》2017,38(32):2775-2783
A significant reduction in the computational effort for the evaluation of the electronic repulsion integrals (ERI) in ab initio quantum chemistry calculations is obtained by using Cholesky decomposition (CD), a numerical procedure that can remove the zero or small eigenvalues of the ERI positive (semi)definite matrix, while avoiding the calculation of the entire matrix. Conversely, due to its antisymmetric character, CD cannot be directly applied to the matrix representation of the spatial part of the two‐electron spin‐orbit coupling (2e‐SOC) integrals. Here, we present a computational strategy to achieve a Cholesky representation of the spatial part of the 2e‐SOC integrals, and propose a new efficient CD algorithm for both ERI and 2e‐SOC integrals. The proposed algorithm differs from previous CD implementations by the extensive use of a full‐pivoting design, which allows a univocal definition of the Cholesky basis, once the CD δ threshold is made explicit. We show that is the upper limit for the errors affecting the reconstructed 2e‐SOC integrals. The proposed strategy was implemented in the ab initio program Computational Emulator of Rare Earth Systems (CERES), and tested for computational performance on both the ERI and 2e‐SOC integrals evaluation. © 2017 Wiley Periodicals, Inc. 相似文献