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Dr. Yajun He Yun Zhao Xiaofeng Wang Prof. Zheyuan Liu Prof. Yan Yu Prof. Liuyi Li 《Angewandte Chemie (International ed. in English)》2023,62(31):e202307160
Supramolecular systems consisting of covalent organic frameworks (COFs) and Ni complex are designed for robust photocatalytic reduction of CO2. Multiple heteroatom-hydrogen bonding between the COF and Ni complex is identified to play a decisive role in the photoexcited electron transfer across the liquid-solid interface. The diminution of steric groups on COF or metal complex can optimize catalytic performance, which is more attributable to the enhanced hydrogen-bond interaction rather than their intrinsic activity. The photosystem with relatively strong strength of hydrogen bonds exhibits remarkable photocatalytic CO2-to-CO conversion, far superior to photosystems with supported atomic Ni or metal complex alone in the absence of hydrogen-bond effect. Such heteroatom-hydrogen bonds bridging electron transport pathway confers supramolecular system with high photocatalytic performance, providing an avenue to rationally design efficient and steadily available photosystems. 相似文献
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A clear and reliable theoretical investigation on dibromomethane (CH(2)Br(2)) photodissociation is desired. The calculation must consider: (i) relativistic effects; (ii) the potential energy curves (PECs) of spin-orbit coupling states; (iii) geometry optimization by the method with both static and dynamic electron correlations; (iv) solvent effects on the photodissociation in the solution. All these have been considered in this study by state-of-the-art quantum chemical calculations. The experimentally observed photodissociation in the gas phase with products of spin-orbit-coupled states, Br((2)P(3/2)) and Br*((2)P(1/2)), was assigned by multi-state second order multiconfigurational perturbation theory in conjunction with spin-orbit interaction through complete active space state interaction (MS-CASPT2/CASSI-SO) PECs. The mechanisms of the experimentally observed photodissociation and photoisomerization in solvent were elucidated by the MS-CASPT2/CASSI-SO method combined with polarized continuum model of the solvent. 相似文献
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A theoretical model for describing the adhesion of lipid vesicle with free edges is developed. For adhesion in contact potential or in finite-range potential, the total energy functional is defined as the sum of elastic free energy, the surface energy, the line tension energy and the contact potential or the long-ranged potential. The equilibrium differential equation and boundary conditions for opening-up lipid vesicles are derived through minimizing the total energy functional. Numerical solutions to these equations are obtained under the axial symmetric condition. These numerical solutions can be used to qualitatively explain the influence of the substrate on the open-up lipid vesicles. 相似文献
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Possible Explanation of the Negative Values of m_ve~2Obtained from the β-Spectrum Shape Analyses 下载免费PDF全文
Qing Chengrui He Zuoxiu Liang Dongqi Mao Yajun Chen Shiping Sun Hancheng 《中国物理C(英文版)》1995,19(1):27-33
By comparing the results obtained using the same experimental data of CIAE but different theoretical formula fits it is pointed out that the negative value of mv2 is most likely stemmed from inaccuracy of the theoretical formula of the β-spectrum. 相似文献
128.
铋系层状半导体材料凭借其独特的表面特性在光催化领域得到广泛的研究及应用,然而在光催化反应过程中光生电荷迁移及其表界面动态变化却鲜见报道。本文中,我们利用准原位X射线光电子能谱仪(QIS-XPS)系统研究超薄Bi2MoO6纳米片光催化CO2还原过程中光生电荷迁移及其表界面演变过程。研究结果表明:在暗态条件下CO2分子吸附于(010)暴露面Bi活性位,由于CO2分子强的拉电子能力,导致内层出现高价态Mo(6 x) 。当光照射至样品表面上时,*CO2峰显著降低,*CO峰明显升高,表明CO2分子在Bi活性位发生活化断键,并与光生电子反应形成*CO,使得高价态Mo(6 x) 含量增大。活性测试表明超薄Bi2MoO6纳米片的CO产量活性为41.8 ?mol g-1 h-1,其比块体Bi2MoO6活性高4.2倍,并且展现出优异的光催化稳定性。该工作为二维层状材料高效光催化CO2还原机理研究提供了一种全新的研究思路。 相似文献
129.
一个新的同系能级因子 总被引:10,自引:0,他引:10
关于有机化合物的同系能级因子已有多种形式,本文用差分方程法推导出其另一种形式并分别用光电子能谱和电子光谱所测数据对其优秀率进行了检验。1完整直链多烯的差分方程法处理对于烯烃:CH2=CH-CH=CH-…-CH=CH212342n-12n如果将编号为q... 相似文献
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Yanping Fan Liu Yajun Xiao Qiang Ma Xiaoxin Sun Pengfei Ji Xiaojun 《Acoustical Physics》2020,66(1):16-20
Acoustical Physics - The surface acoustic wave (SAW) sensor has been widely used to measure torque, and the temperature effect on torque sensitivity has been taken into account. However, few... 相似文献