全文获取类型
收费全文 | 43741篇 |
免费 | 4107篇 |
国内免费 | 4499篇 |
专业分类
化学 | 10800篇 |
晶体学 | 124篇 |
力学 | 2517篇 |
综合类 | 250篇 |
数学 | 8708篇 |
物理学 | 12684篇 |
综合类 | 17264篇 |
出版年
2024年 | 124篇 |
2023年 | 392篇 |
2022年 | 719篇 |
2021年 | 854篇 |
2020年 | 1029篇 |
2019年 | 942篇 |
2018年 | 995篇 |
2017年 | 1151篇 |
2016年 | 1316篇 |
2015年 | 1292篇 |
2014年 | 2148篇 |
2013年 | 2845篇 |
2012年 | 2373篇 |
2011年 | 2840篇 |
2010年 | 2199篇 |
2009年 | 2651篇 |
2008年 | 2780篇 |
2007年 | 3058篇 |
2006年 | 2632篇 |
2005年 | 2303篇 |
2004年 | 1990篇 |
2003年 | 1862篇 |
2002年 | 1748篇 |
2001年 | 1438篇 |
2000年 | 1383篇 |
1999年 | 1095篇 |
1998年 | 1039篇 |
1997年 | 852篇 |
1996年 | 712篇 |
1995年 | 651篇 |
1994年 | 510篇 |
1993年 | 530篇 |
1992年 | 496篇 |
1991年 | 419篇 |
1990年 | 440篇 |
1989年 | 403篇 |
1988年 | 332篇 |
1987年 | 304篇 |
1986年 | 206篇 |
1985年 | 168篇 |
1984年 | 150篇 |
1983年 | 84篇 |
1982年 | 122篇 |
1981年 | 116篇 |
1980年 | 98篇 |
1979年 | 103篇 |
1978年 | 80篇 |
1977年 | 79篇 |
1976年 | 71篇 |
1973年 | 61篇 |
排序方式: 共有10000条查询结果,搜索用时 31 毫秒
1.
2.
Giang Truong Nguyen Prof. Dr. Liviu Ungur 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(30):e202200227
Employing radical bridges between anisotropic metal ions has been a viable route to achieve high-performance single-molecule magnets (SMMs). While the bridges have been mainly considered for their ability to promote exchange interactions, the crystal-field effect arising from them has not been taken into account explicitly. This lack of consideration may distort the understanding and limit the development of the entire family. To shed light on this aspect, herein we report a theoretical investigation of a series of N -radical-bridged diterbium complexes. It is found that while promoting strong exchange coupling between the terbium ions, the N -radical induces a crystal field that interferes destructively with that of the outer ligands, and thus reduces the overall SMM behavior. Based on the theoretical results, we conclude that the SMM behavior in this series could be further maximized if the crystal field of the outer ligands is designed to be collinear with that of the radical bridge. This conclusion can be generalized to all exchange-coupled SMMs. 相似文献
3.
《Mendeleev Communications》2022,32(2):268-270
New chalcones with 4-[bis(2-hydroxyethyl)amino] phenyl fragment were obtained from 4-[bis(2-acetoxyethyl) amino]- benzaldehyde by the Claisen–Schmidt reaction. From their UV-VIS absorption and emission spectra, optical band gap values were calculated based on the Stokes shifts as well as the molar absorption coefficients and fluorescence quantum yields were estimated. The dependence of the absorption and emission maxima on solvent polarity and pH was evaluated. 相似文献
4.
为了寻找团簇Co3FeP的稳定性、结构和内部作用力等规律,利用密度泛函理论,在B3LYP/Lanl2dz的量化水平下对团簇Co3FeP进行理论计算,得到5种优化构型,并从化学反应热力学与动力学的角度对其异构化反应中的反应物、过渡态和生成物进行了讨论分析。结果表明,所有构型均为C1对称且构型的空间结构对其熵值有影响;构型的稳定性主要由金属原子与非金属原子所决定,并且在常温常压下构型1(3)、2(3)和3(3)可以稳定存在,是大部分异构化反应的最终产物。因此,在实际材料的开发中,不仅需要注意金属原子与非金属原子之间的作用力以确保构型的稳定性,还应首先考虑对稳定构型1(3)、2(3)和3(3)进行相关研究。 相似文献
5.
Claudius Gros 《Entropy (Basel, Switzerland)》2021,23(2)
Human societies are characterized by three constituent features, besides others. (A) Options, as for jobs and societal positions, differ with respect to their associated monetary and non-monetary payoffs. (B) Competition leads to reduced payoffs when individuals compete for the same option as others. (C) People care about how they are doing relatively to others. The latter trait—the propensity to compare one’s own success with that of others—expresses itself as envy. It is shown that the combination of (A)–(C) leads to spontaneous class stratification. Societies of agents split endogenously into two social classes, an upper and a lower class, when envy becomes relevant. A comprehensive analysis of the Nash equilibria characterizing a basic reference game is presented. Class separation is due to the condensation of the strategies of lower-class agents, which play an identical mixed strategy. Upper-class agents do not condense, following individualist pure strategies. The model and results are size-consistent, holding for arbitrary large numbers of agents and options. Analytic results are confirmed by extensive numerical simulations. An analogy to interacting confined classical particles is discussed. 相似文献
6.
7.
D-S证据理论可应用于多源数据融合领域,但在处理高度冲突的证据时,可能会出现反直觉的结果.为解决这一问题,本文提出了差异信息量的概念及融合方法.首先,通过信息熵表明证据的相对重要性,采用散度获取证据可信度.然后利用证据可信度优化证据差异度以得到差异信息量,经过计算获取数据的最终权重,并将其作为D-S证据理论中的基本概率分配进行决策.在处理冲突证据、一致证据及不同数量证据等方面的数据融合问题时与其他方法对比,所提方法收敛更快,准确度更高.故障诊断的应用实例表明,所提方法的不确定性更小,优于现存的其他方法. 相似文献
8.
Hydrodynamic cavitation experiments in microfluidic systems have been performed with an aqueous solution of luminol as the working fluid. In order to identify where and how much reactive radical species are formed by the violent bubble collapse, the resulting chemiluminescent oxidation reaction of luminol was scrutinized downstream of a constriction in the microchannel. An original method was developed in order to map the intensity of chemiluminescence emitted from the micro-flow, allowing us to localize the region where radicals are produced. Time averaged void fraction measurements performed by laser induced fluorescence experiments were also used to determine the cavitation cloud position. The combination void fraction and chemiluminescence two-dimensional mapping demonstrated that the maximum chemiluminescent intensity area was found just downstream of the cavitation clouds. Furthermore, the radical yield can be obtained with our single photon counting technique. The maximum radical production rates of 1.2*107 OH/s and radical production per processed liquid volume of 2.15*1010 HO/l were observed. The proposed technique allows for two-dimensional characterisation of radical production in the microfluidic flow and could be a quick, non-intrusive way to optimise hydrodynamic cavitation reactor design and operating parameters, leading to enhancements in wastewater treatments and other process intensifications. 相似文献
9.
为评价和优化串行多环返工生产系统的生产性能表现,结合质量管理与精益生产的理念,区别于传统的返工机制,提出一种全新的“即刻返工”检查机制,将生产系统建模扩展至多机多缓冲区的复杂生产系统.基于生产系统的两大要素,机器与缓冲区的生产状态变化,依据概率论与马氏定理,构建缓冲水平的动态概率转移矩阵,以在制品库存水平及系统平均生产率作为研究指标,针对生产设备及缓冲区展开瞬态分析,通过迭代计算,表明设置合理的系统规模与缓冲区阈值能达到优化系统生产性能的目的,并通过数值实验验证其有效性. 相似文献
10.
Weiyi Li Geng Leng Caiqin Li Yajing Lyu 《International journal of quantum chemistry》2020,120(8):e26150
The mechanisms of CO2 coupling with the propargylic alcohol using alkali carbonates M2CO3 (M = Li, Na, K, Cs) have been investigated by means of density functional theory calculations. The calculations reveal that the target product tetronic acid (TA) is yielded through two stages: (a) the formation of the α-alkylidene cyclic carbonate (αACC) intermediate via Cs2CO3-mediated carboxylative cyclization of the propargylic alcohol with CO2, and (b) the conversion of the αACC intermediate with Cs2CO3 to produce the cesium salt of the TA. Since the overall kinetic barriers for the two stages are comparable and affordable, the excellent chemoselectivity to the TA should be primarily originated from the high thermodynamic stability of the cesium salt of the TA. Moreover, relative to the TA, the possibility to yield the by-product acyclic carbonate can be excluded due to the both kinetics and thermodynamic inferiority. This result is different from the organic base-mediated reaction. Alternatively, our calculations predict that CsHCO3 together generated with the cesium salt of the TA might also be an available mediating reagent for the incorporation of CO2 with the propargylic alcohol. Compared to other alkali carbonates M2CO3 (M = Li, Na, K), the stronger basicity of Cs2CO3 and the lower ionic potential of cesium ion can raise the effective concentration of the αACC intermediate, and thus the conversion of the αACC intermediate into the cesium salt of the TA can be achieved with high yield. 相似文献