全文获取类型
收费全文 | 1772篇 |
免费 | 484篇 |
国内免费 | 229篇 |
专业分类
化学 | 233篇 |
晶体学 | 11篇 |
力学 | 347篇 |
综合类 | 24篇 |
数学 | 607篇 |
物理学 | 1263篇 |
出版年
2024年 | 19篇 |
2023年 | 32篇 |
2022年 | 70篇 |
2021年 | 52篇 |
2020年 | 51篇 |
2019年 | 59篇 |
2018年 | 68篇 |
2017年 | 78篇 |
2016年 | 104篇 |
2015年 | 74篇 |
2014年 | 90篇 |
2013年 | 161篇 |
2012年 | 126篇 |
2011年 | 150篇 |
2010年 | 95篇 |
2009年 | 117篇 |
2008年 | 97篇 |
2007年 | 123篇 |
2006年 | 91篇 |
2005年 | 78篇 |
2004年 | 61篇 |
2003年 | 68篇 |
2002年 | 78篇 |
2001年 | 77篇 |
2000年 | 64篇 |
1999年 | 64篇 |
1998年 | 39篇 |
1997年 | 47篇 |
1996年 | 25篇 |
1995年 | 26篇 |
1994年 | 26篇 |
1993年 | 31篇 |
1992年 | 22篇 |
1991年 | 20篇 |
1990年 | 13篇 |
1989年 | 8篇 |
1988年 | 12篇 |
1987年 | 6篇 |
1986年 | 8篇 |
1985年 | 11篇 |
1984年 | 7篇 |
1982年 | 5篇 |
1981年 | 3篇 |
1980年 | 5篇 |
1979年 | 4篇 |
1978年 | 5篇 |
1977年 | 3篇 |
1976年 | 2篇 |
1973年 | 3篇 |
1957年 | 2篇 |
排序方式: 共有2485条查询结果,搜索用时 15 毫秒
21.
We derive the basic canonical brackets amongst the creation and annihilation operators for a two (1 + 1)- dimensional (2D) gauge field theoretic model of an interacting Hodge theory where a U(1) gauge field (Aμ) is coupled with the fermionic Dirac fields (ψ and ψ). In this derivation, we exploit the spin-statistics theorem, normal ordering and the strength of the underlying six infinitesimal continuous symmetries (and the concept of their generators) that are present in the theory. We do not use the definition of the canonical conjugate momenta (corresponding to the basic fields of the theory) anywhere in our whole discussion. Thus, we conjecture that our present approach provides an alternative to the canonical method of quantization for a class of gauge field theories that are physical examples of Hodge theory where the continuous symmetries (and corresponding generators) provide the physical realizations of the de Rham cohomological operators of differential geometry at the algebraic level. 相似文献
22.
本文采用第一性原理计算结合从头算分子动力学的方法,研究了碳纳米锥(CNC)、B和N掺杂碳纳米锥(B-CNC和N-CNC)的稳定性,结果表明CNC、B-CNC和N-CNC均可以稳定存在.在此基础上分别研究了Na原子在CNC、B-CNC和N-CNC上的吸附行为.结果表明:1) Na原子在CNC五元碳环中心顶部位置的吸附最强,吸附能为-2.52 eV. CNC的能隙(Eg)为1.96 eV. 2) B和N掺杂CNC后,B-CNC和N-CNC的导电性均显著增强. 3)与CNC相比,Na原子在B-CNC上的吸附增强,而在N-CNC上的吸附则显著减弱.这表明B-CNC有望作为Na离子电池的负极材料.本文的研究结果对以CNC为负极材料的Na离子电池的研究提供了理论指导. 相似文献
23.
Shigeru Masuda 《Applied Surface Science》2010,256(13):4054-4064
A systematic understanding and controlling of gap states formed at the organic-metal interfaces is a key factor for fabricating functional organic-metal systems, as in case of heterojunctions in semiconductor devices. We report here the characterization of gap states near the Fermi level of metal substrate by metastable atom electron spectroscopy and first-principles density functional calculations. The gap states in organic-metal systems are classified into two types, i.e., chemisorption-induced gap states (CIGSs) and complex-based gap states (CBGSs). CIGSs can be further classified whether the metal wave function tails a short distance into the chemisorbed species with the exponential decay (damping type) or is exposed sufficiently to the chemisorbed species by mixing with the organic orbitals (propagating type). CIGSs observed in alkanethiolate and C60 on Pt(1 1 1) are their typical examples, respectively. As a consequence, alkanethiolate serves as a poor mediator of metal wave function, whereas C60 acts as a good mediator, which is responsible for tunneling mechanism and eventually electric conductivity in the relevant metal-organic-metal junctions. CBGSs are identified in bathocuproine films deposited on K-covered Au, where the K atoms migrate into the film to form an organic-metal complex. The CBGSs are distributed over the multilayer film, in contrast to the case of CIGS. With increasing film thickness, the CBGSs exhibit incommensurate energy shifts with the valence band top of the film, indicating that the Schottky-Mott model breaks down as evaluating charge transport in organic-metal systems. 相似文献
24.
Variational principles are constructed using the semi-inverse method for two kinds of extended Korteweg—de Vries (KdV) equations, which can be regarded as simple models of the nonlinear oceanic internal waves and atmospheric long waves, respectively. The obtained variational principles have also been proved to be correct. 相似文献
25.
二硒化钼的层间相互作用强,单层结构具有更低的带隙和更好的稳定性.由于独特的光学性质和优异的电学性能受到研究人员的广泛关注.本文基于密度泛函理论的第一原理,计算和分析了在双轴拉伸压缩应变条件下单层MoSe2能带结构,拉曼光谱和声子谱的变化规律以及性质产生的原因.在拉伸压缩应变作用下,直接带隙转变为间接带隙.当拉伸应变达到12%时,材料发生半导体-金属相变.当压缩应变达到6%时,声子谱中开始出现虚频率,表明结构开始变得不稳定. 相似文献
26.
CO、C2H2、CH4是溶解在变压器油中的典型故障特征气体,其种类和浓度能够反映油浸式变压器绝缘故障的不同类型和严重程度,进行油中溶解气体分析是在线检测变压器运行状态的重要方法.基于第一性原理,通过Mn-MoS2单层对三种气体的吸附能、转移电荷、态密度和形变电荷密度等参数以及解吸性能分析和灵敏度计算,提出了一种基于Mn-MoS2材料的气敏传感器对油中溶解气体进行分析的方法.结果表明Mn-MoS2对CH4是物理吸附,对CO和C2H2是化学吸附.对于Mn-MoS2来说,CH4在常温下吸附能力差且灵敏度低,CO在不同温度下均有较强的吸附能力,而C2H2在常温下吸附稳定,高温下易解吸且响应灵敏度高.因此,Mn掺杂的MoS2体系可预期作为CO的气体吸附剂和检测C2H 相似文献
27.
ABSTRACTLocal sensitivity information is obtained for KKT points of parametric NLPs that may exhibit active set changes under parametric perturbations; under appropriate regularity conditions, computationally relevant generalized derivatives of primal and dual variable solutions of parametric NLPs are calculated. Ralph and Dempe obtained directional derivatives of solutions of parametric NLPs exhibiting active set changes from the unique solution of an auxiliary quadratic program. This article uses lexicographic directional derivatives, a newly developed tool in nonsmooth analysis, to generalize the classical NLP sensitivity analysis theory of Ralph and Dempe. By viewing said auxiliary quadratic program as a parametric NLP, the results of Ralph and Dempe are applied to furnish a sequence of coupled QPs, whose unique solutions yield generalized derivative information for the NLP. A practically implementable algorithm is provided. The theory developed here is motivated by widespread applications of nonlinear programming sensitivity analysis, such as in dynamic control and optimization problems. 相似文献
28.
Structural and electronic properties of S in the CdTe/CdS(0001) interface are studied using the density functional theory. The interstitial S atom may induce the inversion of the surface Cd atoms and sublayer Te atoms of the Cd‐terminated surface, while S atoms may adsorb at the top sites, substitute Te atoms or accumulate at the voids inside the Te‐terminated (111) CdTe surface. Isovalent substituting S for Te in the CdTe(111)/CdS(0001) heterojunctions can reduce the strain arising from lattice mismatch and cause a reduction of interface states, so it may be better for solar cells. Copyright © 2011 John Wiley & Sons, Ltd. 相似文献
29.
Based on quantum chemistry calculations combined with the Marcus–Hush electron transfer theory, we investigated the charge‐transport properties of oligothiophenes (nTs) and oligopyrroles (nPs) (n=6, 7, 8) as potential p‐ or n‐type organic semiconductor materials. The results of our calculations indicate that 1) the nPs show intrinsic hole mobilities as high as or even higher than those of nTs, and 2) the vertical ionization potentials (VIPs) of the nPs are about 0.6–0.7 eV smaller than the corresponding VIPs of the nTs. Based on their charge‐transport ability and hole‐injection efficiency, the nPs have potential as p‐type organic semiconducting materials. Furthermore, it was also found that the maximum values of the electron‐transfer mobility for the nTs are larger by one‐to‐two orders of magnitude than the corresponding maximum values of hole‐transfer mobility, which suggests that the nTs have the potential to be developed as promising n‐type organic semiconducting materials owing to their electron mobility. 相似文献
30.