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81.
ZOU DingBiao QIU YaTao TU ZhengChao LIAO ChenZhong LUO JinFeng MENG QingQing YAO RiSheng LI Zheng JIANG Sheng 《中国科学:化学(英文版)》2014,57(6):823-832
We designed a series of 2-methylpyrimidine derivatives as new BCR-ABL inhibitors using scaffold-hopping strategy.These synthetic compounds exhibited significant inhibition against a broad spectrum of Bcr-Abl mutants including the gatekeeper T315I mutant.Compound 7u showed very potent kinase inhibitory activities against Bcr-Abl WT,Bcr-Abl E255K,Bcr-Abl Q252H,Bcr-Abl G250E and Bcr-Abl T315I,with IC50 values of 0.13 nM,0.17 nM,0.24 nM,0.19 nM and 0.65μM,respectively.This compound also displayed anti-proliferation activity against K562 cell line with an IC50 value of 1.1 nM,thus representing a new lead for further optimization. 相似文献
82.
Dr. Yoshikazu Ito Dr. Yoichi Tanabe Dr. H.‐J. Qiu Dr. Katsuaki Sugawara Dr. Satoshi Heguri Dr. Ngoc Han Tu Dr. Khuong Kim Huynh Dr. Takeshi Fujita Prof. Takashi Takahashi Prof. Katsumi Tanigaki Prof. Mingwei Chen 《Angewandte Chemie (International ed. in English)》2014,53(19):4822-4826
We report three‐dimensional (3D) nanoporous graphene with preserved 2D electronic properties, tunable pore sizes, and high electron mobility for electronic applications. The complex 3D network comprised of interconnected graphene retains a 2D coherent electron system of massless Dirac fermions. The transport properties of the nanoporous graphene show a semiconducting behavior and strong pore‐size dependence, together with unique angular independence. The free‐standing, large‐scale nanoporous graphene with 2D electronic properties and high electron mobility holds great promise for practical applications in 3D electronic devices. 相似文献
83.
Jinrong Yang Dr. Guosheng Shi Dr. Yusong Tu Prof. Haiping Fang 《Angewandte Chemie (International ed. in English)》2014,53(38):10190-10194
Recent experiments have shown the coexistence of both large unoxidized and oxidized regions on graphene oxide (GO), but the underlying mechanism for the formation of the GO atomic structure remains unknown. Now, using density functional calculations, 52 oxidation pathways for local pyrene structures on GO were identified, and a kinetic profile for graphene oxidation with a high correlation between oxidation loci was proposed, which is different from the conventional view, which entails a random distribution of oxidation loci. The high correlation is an essential nature of graphene oxidation processes and can be attributed to three crucial effects: 1) breaking of delocalized π bonds, 2) steric hindrance, and 3) hydrogen‐bond formation. This high correlation leads to the coexistence of both large unoxidized and oxidized regions on GO. Interestingly, even in oxidized regions on GO, some small areas of sp2‐hybridized domains, similar to “islands”, can persist because of steric effects. 相似文献
84.
Wen-ting Xu Hai-ling Tu Da-li Liu Ran Teng Qing-hua Xiao Qing Chang 《Journal of nanoparticle research》2011,13(12):7095-7098
An innovative fabrication technique for the nanometer-sized SiGe/Si heterostructure was developed in this study. Ge was induced
in Si substrate by two-step ion implantation. The spherical SiGe nanoclusters are self-assembled in the Si substrate by subsequent
rapid thermal annealing at 1,100 °C. The diameter of the spherical SiGe nanoclusters is 5–7 nm. Visible photoluminescence
from this nanometer-sized SiGe/Si heterostructure at room temperature was investigated. We found three peak energies of visible
luminescence spectra at 1.97, 2.13, and 2.16 eV, respectively. The luminescence intensity depends on the number of the nanoclusters
and will be decreased because of the micro-defects around the heterostructure, which is discussed in detail. 相似文献
85.
Geometric conservation law and applications to high-order finite difference schemes with stationary grids 总被引:3,自引:0,他引:3
Xiaogang Deng Meiliang Mao Guohua Tu Huayong Liu Hanxin Zhang 《Journal of computational physics》2011,230(4):1100-1115
The geometric conservation law (GCL) includes the volume conservation law (VCL) and the surface conservation law (SCL). Though the VCL is widely discussed for time-depending grids, in the cases of stationary grids the SCL also works as a very important role for high-order accurate numerical simulations. The SCL is usually not satisfied on discretized grid meshes because of discretization errors, and the violation of the SCL can lead to numerical instabilities especially when high-order schemes are applied. In order to fulfill the SCL in high-order finite difference schemes, a conservative metric method (CMM) is presented. This method is achieved by computing grid metric derivatives through a conservative form with the same scheme applied for fluxes. The CMM is proven to be a sufficient condition for the SCL, and can ensure the SCL for interior schemes as well as boundary and near boundary schemes. Though the first-level difference operators δ3 have no effects on the SCL, no extra errors can be introduced as δ3 = δ2. The generally used high-order finite difference schemes are categorized as central schemes (CS) and upwind schemes (UPW) based on the difference operator δ1 which are used to solve the governing equations. The CMM can be applied to CS and is difficult to be satisfied by UPW. Thus, it is critical to select the difference operator δ1 to reduce the SCL-related errors. Numerical tests based on WCNS-E-5 show that the SCL plays a very important role in ensuring free-stream conservation, suppressing numerical oscillations, and enhancing the robustness of the high-order scheme in complex grids. 相似文献
86.
A fully-coupled Large Eddy Simulation model which incorporates all essential combustion, radiation and soot chemistry considerations
have been developed to simulate the temporal vortical structure of a large-scale buoyant fire. Numerical results are validated
and compared against a full-scale fire measurements and predictions from other LES models. Quantitative comparisons against
experimental data suggested that the present model successfully captured the vortical structures and the puffing behaviour
of a buoyant fire. 相似文献
87.
Ascorbic acid (AA) is one of the essential nutrients in bee pollen, however, it is unstable and likely to be oxidized. Generally, the oxidation form (dehydroascorbic acid (DHA)) is considered to have equivalent biological activity as the reduction form. Thus, determination of the total content of AA and DHA would be more accurate for the nutritional analysis of bee pollen. Here we present a simple, sensitive, and reliable method for the determination of AA, total ascorbic acids (TAA), and DHA in rape (Brassica campestris), lotus (Nelumbo nucifera), and camellia (Camellia japonica) bee pollen, which is based on ultrasonic extraction in metaphosphoric acid solution, and analysis using hydrophilic interaction liquid chromatography (HILIC)-ultraviolet detection. Analytical performance of the method was evaluated and validated, then the proposed method was successfully applied in twenty-one bee pollen samples. Results indicated that contents of AA were in the range of 17.54 to 94.01 µg/g, 66.01 to 111.66 µg/g, and 90.04 to 313.02 µg/g for rape, lotus, and camellia bee pollen, respectively. In addition, percentages of DHA in TAA showed good intra-species consistency, with values of 13.7%, 16.5%, and 7.6% in rape, lotus, and camellia bee pollen, respectively. This is the first report on the discriminative determination between AA and DHA in bee pollen matrices. The proposed method would be valuable for the nutritional analysis of bee pollen. 相似文献
88.
Weinan Xing Shengming Yin Wenguang Tu Guanyu Liu Shuyang Wu Haojing Wang Markus Kraft Guangyu Wu Rong Xu 《Angewandte Chemie (International ed. in English)》2020,59(3):1171-1175
A simple solvent ligation effect was successfully used to disrupt the growth of a model compound, Fe[(OH)(O3P(CH2)2CO2H)]?H2O (MIL‐37), into an extended 2D structure by replacing water with dimethylformamide (DMF) as the solvent during the synthesis. Owing to the lack of ?OH group, which provides the corner‐sharing (binding) oxygen atoms for the octahedra, an amorphous and porous structure is formed. When Fe3+ is partially replaced by Ni2+, the amorphous structure remains and the resultant binary metal catalyst displays excellent photocatalytic oxygen evolution activity with almost 100 % yield achieved under visible light irradiation using [Ru(bpy)3]2+ as the photosensitizer. This study opens up new possibilities of using the simple solvent effect to synthesize high surface area metal phosphonates for catalytic and other applications. 相似文献
89.
Yanbin Shen Yahao Li Shengjue Deng Guoxiang Pan Qinqin Xiong Xiaokun Ding Yangfan Lu Qi Liu Xinhui Xia Xiuli Wang Jiangping Tu 《中国化学快报》2020,31(3):846-850
High-perfo rmance anodes of sodium ion batteries(SIBs)largely depends on rational architecture design and binder-free smart hybridization.Herein,we report TiC/C core/shell nanowires arrays prepared by a one-step chemical vapor deposition(CVD)method and apply it as the anode of SIBs for the first time.The conductive TiC core is intimately decorated with carbon shell.The as-obtained TiC/C nanowires are homogeneously grown on the substrate and show core/shell heterostructure and porous architecture with high electronic conductivity and reinforced stability.Owing to these merits,the TiC/C electrode displays good rate performance and outstanding cycling performance with a capacity of 135.3 mAh/g at 0.1 A/g and superior capacity retention of 90.14%after 1000 cycles at 2 A/g.The reported strategy would provide a promising way to construct binder-free arrays electrodes for sodium ion storage. 相似文献
90.
质子交换膜燃料电池具有无污染、噪声低、能量密度高、燃料转换效率高、响应速度快的显著优点,得到了迅速发展,但寿命仍然是制约其大规模商业化的重要原因。局部电流密度作为质子交换膜燃料电池运行过程中的重要参数,既能作为电池运行过程中的故障诊断和定位工具,提升电池运行的稳定性和和耐久性;又能提供电池运行期间其内部现象的有关信息,为深入理解电池反应机理以及优化电池设计提供有力指导,因此研究局部电流密度具有非常重要的意义。本文介绍并分析了实时原位测量局部电流密度的方法,比较了前人实验所得结果与模拟所得结果,阐述了相关参数对局部电流密度分布的影响机制,回顾并评析了局部电流密度用于燃料电池分析中的实际工作。最后,立足于局部电流密度的研究现状,给出了局部电流密度下一步的研究方向。 相似文献