全文获取类型
收费全文 | 26942篇 |
免费 | 4707篇 |
国内免费 | 3978篇 |
专业分类
化学 | 20610篇 |
晶体学 | 431篇 |
力学 | 1442篇 |
综合类 | 277篇 |
数学 | 2831篇 |
物理学 | 10036篇 |
出版年
2024年 | 66篇 |
2023年 | 525篇 |
2022年 | 719篇 |
2021年 | 1006篇 |
2020年 | 1149篇 |
2019年 | 1157篇 |
2018年 | 1004篇 |
2017年 | 997篇 |
2016年 | 1340篇 |
2015年 | 1391篇 |
2014年 | 1752篇 |
2013年 | 2189篇 |
2012年 | 2516篇 |
2011年 | 2588篇 |
2010年 | 1953篇 |
2009年 | 1781篇 |
2008年 | 2000篇 |
2007年 | 1773篇 |
2006年 | 1614篇 |
2005年 | 1350篇 |
2004年 | 1006篇 |
2003年 | 821篇 |
2002年 | 773篇 |
2001年 | 606篇 |
2000年 | 528篇 |
1999年 | 440篇 |
1998年 | 390篇 |
1997年 | 317篇 |
1996年 | 278篇 |
1995年 | 230篇 |
1994年 | 256篇 |
1993年 | 186篇 |
1992年 | 173篇 |
1991年 | 141篇 |
1990年 | 132篇 |
1989年 | 119篇 |
1988年 | 62篇 |
1987年 | 42篇 |
1986年 | 51篇 |
1985年 | 41篇 |
1984年 | 25篇 |
1983年 | 16篇 |
1982年 | 18篇 |
1981年 | 9篇 |
1980年 | 18篇 |
1979年 | 8篇 |
1976年 | 11篇 |
1975年 | 9篇 |
1974年 | 9篇 |
1973年 | 7篇 |
排序方式: 共有10000条查询结果,搜索用时 15 毫秒
31.
Two new homosecoiridoids, named loniaceticiridoside (1) and lonimalondialiridoside (2), were isolated from an aqueous extract of the flower buds of Lonicera japonica. Their structures including the absolute configuration were determined by extensive spectroscopic studies, especially by 2D NMR and CD data analysis. A proposed biosynthetic pathway and preliminary investigations of the biological activity of compounds 1 and 2 are also discussed. 相似文献
32.
33.
We consider the problem of estimating a large rank-one tensor u ⊗k ∈ (ℝn)⊗k , k ≥ 3 , in Gaussian noise. Earlier work characterized a critical signal-to-noise ratio λ Bayes = O(1) above which an ideal estimator achieves strictly positive correlation with the unknown vector of interest. Remarkably, no polynomial-time algorithm is known that achieved this goal unless λ ≥ Cn(k − 2)/4 , and even powerful semidefinite programming relaxations appear to fail for 1 ≪ λ ≪ n(k − 2)/4 . In order to elucidate this behavior, we consider the maximum likelihood estimator, which requires maximizing a degree-k homogeneous polynomial over the unit sphere in n dimensions. We compute the expected number of critical points and local maxima of this objective function and show that it is exponential in the dimensions n , and give exact formulas for the exponential growth rate. We show that (for λ larger than a constant) critical points are either very close to the unknown vector u or are confined in a band of width Θ(λ−1/(k − 1)) around the maximum circle that is orthogonal to u . For local maxima, this band shrinks to be of size Θ(λ−1/(k − 2)) . These “uninformative” local maxima are likely to cause the failure of optimization algorithms. © 2019 Wiley Periodicals, Inc. 相似文献
34.
35.
Guangrui Chen Yuxing Yan Dr. Jie Wang Prof. Yong Sik Ok Guiyuan Zhong Prof. Bu Yuan Guan Prof. Yusuke Yamauchi 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(44):19831-19836
Mesoporous core–shell nanostructures with controllable ultra-large open channels in their nanoshells are of great interest. However, soft template-directed cooperative assembly to mesoporous nanoshells with highly accessible pores larger than 30 nm, or even above 50 nm into macroporous range, remains a significant challenge. Herein we report a general approach for precisely tailored coating of hierarchically macro-/mesoporous polymer and carbon shells, possessing highly accessible radial channels with extremely wide pore size distribution from ca. 10 nm to ca. 200 nm, on diverse functional materials. This strategy creates opportunities to tailor the interfacial assembly of irregular mesostructured nanounits on core materials and generate various core–shell nanomaterials with controllable pore architectures. The obtained Fe,N-doped macro-/mesoporous carbon nanoshells show enhanced electrochemical performance for the oxygen reduction reaction in alkaline condition. 相似文献
36.
Jin Xie Yun-Wei Song Dr. Bo-Quan Li Dr. Hong-Jie Peng Prof. Jia-Qi Huang Prof. Qiang Zhang 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(49):22334-22339
Polysulfide intermediates (PSs), the liquid-phase species of active materials in lithium–sulfur (Li-S) batteries, connect the electrochemical reactions between insulative solid sulfur and lithium sulfide and are key to full exertion of the high-energy-density Li-S system. Herein, the concept of sulfur container additives is proposed for the direct modification on the PSs species. By reversible storage and release of the sulfur species, the container molecule converts small PSs into large organosulfur species. The prototype di(tri)sulfide-polyethylene glycol sulfur container is highly efficient in the reversible PS transformation to multiply affect electrochemical behaviors of sulfur cathodes in terms of liquid-species clustering, reaction kinetics, and solid deposition. The stability and capacity of Li-S cells was thereby enhanced. The sulfur container is a strategy to directly modify PSs, enlightening the precise regulation on Li-S batteries and multi-phase electrochemical systems. 相似文献
37.
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
38.
The sunset diagram of λφ4 theory is evaluated numerically in cutoff scheme and a nonzero finite term(in accordance with dimensional regularization (DR) result) is found in contrast to published calculations. This findingdramatically reduces the critical couplings for symmetry breaking in the two-loop effective potential discussed in ourprevious work. 相似文献
39.
40.
采用基于第一性原理的密度泛函理论研究了四角晶相二氧化铪(t-HfO2)体相及 其(001)表面的原子几何与电子结构.理论计算结果表明,t-HfO2(001)表面不会 产生重构现象.与体相电子结构相比, t-HfO2(001)表面态密度明显高于体相态 密度.其次,表面原子的态密度更靠近费米能级(EF),价带往低能量处移动,并 有表面态产生.计算结果表明了t-HfO2表面禁带宽度明显低于体相的禁带宽度. t-HfO2(001)的表面态产生以及表面禁带宽度减小是由于Hf原子与O原子的配位 数减少,表面原子周围的环境发生变化而引起的.
关键词:
密度泛函理论
2(001)')" href="#">t-HfO2(001)
表面电子结构 相似文献