首页 | 本学科首页   官方微博 | 高级检索  
文章检索
  按 检索   检索词:      
出版年份:   被引次数:   他引次数: 提示:输入*表示无穷大
  收费全文   2530篇
  免费   337篇
  国内免费   636篇
化学   1978篇
晶体学   51篇
力学   170篇
综合类   44篇
数学   356篇
物理学   904篇
  2024年   5篇
  2023年   33篇
  2022年   103篇
  2021年   100篇
  2020年   115篇
  2019年   134篇
  2018年   103篇
  2017年   126篇
  2016年   130篇
  2015年   166篇
  2014年   146篇
  2013年   209篇
  2012年   241篇
  2011年   274篇
  2010年   216篇
  2009年   189篇
  2008年   212篇
  2007年   146篇
  2006年   167篇
  2005年   150篇
  2004年   99篇
  2003年   53篇
  2002年   57篇
  2001年   66篇
  2000年   65篇
  1999年   54篇
  1998年   25篇
  1997年   17篇
  1996年   20篇
  1995年   16篇
  1994年   15篇
  1993年   9篇
  1992年   10篇
  1991年   5篇
  1990年   7篇
  1989年   4篇
  1988年   5篇
  1987年   2篇
  1986年   1篇
  1985年   3篇
  1984年   1篇
  1982年   2篇
  1979年   1篇
  1971年   1篇
排序方式: 共有3503条查询结果,搜索用时 15 毫秒
1.
2.
Alkynes cycloaddition reactions are powerful tools for constructing cyclic molecules with optimal atom efficiency, but these reactions cannot proceed at ambient temperature without transition-metal catalysts. In this work, a heterobimetallic complex featuring an Nb–Fe triple bond, Nb(iPrNPMe2)3Fe–PMe3, has been evaluated as the potential catalyst for acetylene cycloaddition, using density functional theory. The calculated results show that the singlet-state (i.e. ground-state) Nb(iPrNPMe2)3Fe–PMe3 can be applied to benzene synthesis, but is not suitable for cyclobutadiene. Benzene can be obtained easily at room temperature and is the unique product on the singlet potential surface. The irradiation of infrared-red light can drive the excitation of singlet Nb(iPrNPMe2)3Fe–PMe3 to its triplet state. Both benzene and cyclobutadiene can be formed on the triplet reaction potential surface due to their low energy barriers. Therefore, Nb(iPrNPMe2)3Fe–PMe3 is a potential high reactivity heterobimetallic catalyst for the cyclotrimerization of alkynes. In the reaction process, the catalytic active site of Nb(iPrNPMe2)3Fe–PMe3 moves from niobium to iron.  相似文献   
3.
Two novel 2′-hydroxychalcone derivatives (i.e., M1 and M2) are explored in this work. We mainly focus on investigating the effects of photoexcitation on hydrogen bonds and on the excited-state intramolecular proton transfer (ESIPT) process. On the basis of calculations of electrostatic potential surface and intramolecular interactions, we verify the formation of hydrogen bond O1 H2···O3 in both S0 and S1 states. Exploring the ultraviolet–visible spectra in the liquid phase, our simulated results reappear in the experimental phenomenon. Analyzing molecular geometry and infrared stretching vibrational spectra, we confirm O1 H2···O3 is strengthened for both M1 and M2 in the S1 state. We further confirm that charge redistribution facilitates ESIPT tendency. Constructing potential energy curves, we find the ultrafast ESIPT behavior for M1, which is because of the deficiency of side hydroxyl moiety comparing with M2. This work makes a reasonable affiliation of the ESIPT mechanism for M1 and M2. We wish this paper could facilitate understanding these two novel systems and promote their applications.  相似文献   
4.
烟气中Hg的氧化机理的研究   总被引:7,自引:1,他引:6  
本文对Hg与Cl2在烟气中的氧化反应进行了热力平衡计算和动力学计算。平衡计算的结果表明有CI元索存在时Hg的氧化率为100%,而在相同的条件下动力学计算纺果为Hg的氧化率在20%~80%之间变化,与实验结果吻合。实际的氧化反应是一种超平衡状态,不能达到理想的平衡状态。因此应采用动力学与热力平衡分析相结合的方法研究Hg在烟气中的反应机理。同时,计算结果显示Cl含量对Hg的氧化率的影响很大.  相似文献   
5.
迈克尔逊干涉仪中补偿板与干涉条纹   总被引:1,自引:0,他引:1  
通过分析缺失补偿板的迈克尔逊干涉仪中的附加光程差,推出干涉条纹满足的方程式,并用计算机模拟了动镜移动过程中变化的干涉条纹,与实验结果相一致.  相似文献   
6.
Clifford分析中无界域上正则函数的边值问题   总被引:1,自引:0,他引:1  
在引入修正Cauchy核的基础上,讨论了无界域上正则函数的带共轭值的边值问题:a(t)Φ (t) b(t)Φ (t) c(t)Φ-(t) d(t)Φ=g(t).首先给出了无界域上正则函数的Plemelj公式,然后利用积分方程方法和压缩不动点原理证明了问题解的存在唯一性.  相似文献   
7.
HL-2A is the first divertor tokamak in China. The vacuum system is one of the important parts of the HL-2A tokamak, which has to be work well during the physics campaign in 2004. As the tokamak machine is separated from the operation staff during discharges, to guarantee the safe and reliable operation of the vacuum system, it is necessary to watch the vacuum system outside the machine hall with an automatic monitoring system. The paper describes the design and manufacture of the monitoring system.  相似文献   
8.
The vacuum system of today's tokamak devices is designed to meet the operational requirements of the experiments. The operation can be divided into five modes, (1) pumping down and leak detecting of the vacuum vessel, (2) baking, (3) plasma-facing component (PFC) conditioning, (4)evacuating and controlling of the particles at plasma edge, (5) plasma discharge experiments.  相似文献   
9.
对带有一般实参数第三类Painlevé方程,已有γ<0,δ>0时,解的有界性以及振荡渐近解的表达形式的结论.在本文中,我们给出当δ=0或γ=0时其振荡渐近解的表达形式.  相似文献   
10.
Fe-doped TiO2 powder was prepared by high-energy ball milling, using TiO2 Degussa P-25 and α-Fe powders as the starting materials. The structure and magnetic properties of the Fe-doped TiO2 powder were studied by X-ray diffraction, 57Fe Mossbauer spectroscopy and vibrating sample magnetometer. The Reitveld refinement of XRD revealed that ball milling not only triggered incorporation of Fe in TiO2 lattice but also induced the phase transformation from anatase to rutile in TiO2 and consequently the milled Fe-doped TiO2 powder contained only rutile.57Fe Mössbauer effect measure showed that Fe atoms existed in Fe2+ and Fe3+ state, which were assigned to the solid solution FexTi1−xO2. The magnetization measurements indicated that the milled Fe-doped TiO2 powder was ferromagnetic above room temperature. The ferromagnetism in our milled Fe-doped TiO2 powder seemingly does not come from Fe and iron oxides particles/clusters but from the Fe-doped TiO2 powder matrices.  相似文献   
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号