全文获取类型
收费全文 | 40465篇 |
免费 | 2542篇 |
国内免费 | 1916篇 |
专业分类
化学 | 22528篇 |
晶体学 | 234篇 |
力学 | 4031篇 |
综合类 | 563篇 |
数学 | 8382篇 |
物理学 | 9185篇 |
出版年
2024年 | 67篇 |
2023年 | 377篇 |
2022年 | 1087篇 |
2021年 | 1087篇 |
2020年 | 1028篇 |
2019年 | 995篇 |
2018年 | 890篇 |
2017年 | 1121篇 |
2016年 | 1507篇 |
2015年 | 1141篇 |
2014年 | 1630篇 |
2013年 | 2826篇 |
2012年 | 2303篇 |
2011年 | 2108篇 |
2010年 | 1810篇 |
2009年 | 2306篇 |
2008年 | 2257篇 |
2007年 | 2572篇 |
2006年 | 2125篇 |
2005年 | 1921篇 |
2004年 | 1847篇 |
2003年 | 1538篇 |
2002年 | 1201篇 |
2001年 | 995篇 |
2000年 | 951篇 |
1999年 | 859篇 |
1998年 | 806篇 |
1997年 | 728篇 |
1996年 | 659篇 |
1995年 | 637篇 |
1994年 | 554篇 |
1993年 | 463篇 |
1992年 | 422篇 |
1991年 | 365篇 |
1990年 | 332篇 |
1989年 | 221篇 |
1988年 | 222篇 |
1987年 | 139篇 |
1986年 | 121篇 |
1985年 | 143篇 |
1984年 | 113篇 |
1983年 | 59篇 |
1982年 | 95篇 |
1981年 | 55篇 |
1980年 | 45篇 |
1979年 | 75篇 |
1978年 | 33篇 |
1977年 | 14篇 |
1976年 | 22篇 |
1957年 | 7篇 |
排序方式: 共有10000条查询结果,搜索用时 15 毫秒
91.
利用量子化学密度泛函理论B3LYP方法及 6 31G(d ,p)、6 311G(d ,p)、6 31+G(d ,p)和 6 311+G(d ,p)基组对五氟代吡啶、2 ,6 二氟代吡啶和 2 氟代吡啶分子的阳离子进行了计算研究 .B3LYP构型优化和频率分析计算结果表明这三种氟代吡啶阳离子的结构分别具有C2v、C2v和Cs 对称性 ,电子基态分别为2 A2 、2 A2 和2 A″ .对离子和分子的计算构型做了比较 .利用B3LYP方法和不同的基组对这三种阳离子及其分子进行了自然布居分析计算 .用B3LYP方法对这三种阳离子 (自由基 )中的超精细结构进行了计算 ,对五氟代吡啶、2 ,6 二氟代吡啶和2 氟代吡啶分子的垂直电离势和绝热电离势进行了计算 ,与实验值符合得很好 相似文献
92.
Thiourea compounds are excellent agents of bioactive substance. A number of biological activities are associated with substituted thiourea derivatives. A survey of literature reveals that some work has been reported on benzoylthiourea, which has found plenty of applications as a facile and simple ligand in determination of trances of the transition metal and as an available starting material in preparation of a wide variety of metal complexes. In recent years,N-benzoyl-N'-(2-hydroxyethyl)-thiourea has attracted considerable attention as selective reagents for the liquid-liquid extraction and preconcentration of platinum group metals and its antifungle activity.As a part of our works in studying coordination behaviours of N-benzoyl-N'-(2-hydroxyethyl)-thiourea and its bioactivity, in view of these observations and in continuation of our previous works on it, the present work was reported on the crystal structure of N-benzoyl-N'-( 2-hydroxyethyl)-thiourea.The crystals structure in the monoclinic system and space group of P21/c of N-benzoyl-N'-(2-hydroxyethyl)- thiourea (C10H12N2O2S) was determined from single-crystal X-ray diffraction analysis, a = 17.083 (3) A, b = 4.5490 (10) A, c = 14.279 (3)A, a = 90.00°, a = 102.44(3)°, a = 90.00 °, Ⅴ = 1083.6 (4)A3, Z = 4, Dc = 1.375 Mg/m3, i (Mo Ka)= 0.280 mm-1, F(000) =472. The final R and u R are 0.0399 and 0.0881 for 783 observed reflections [Ⅰ>26(Ⅰ)].Fig. 1 shows the molecular crystal structure of N-benzoyl-N'-(2-hydroxyethyl)thiourea indicating that the carbonyl and thiocarbonyl moieties are pointing in approximate opposite directions. The six atoms in the ring structure hydrogen bonded are almost in one plane. The N(2)-H proton pendant arm extends to the carbonyl oxygen atom, forms hydrogen bond between them.The existence of hydrogen bond in benzoyl-thiourea molecular six-membered ring structure has significant implications on coordination properties, suggest the possibility of intramolecular hydrogen bond controlled coordination behaviors of these potentially bidentate ligands. In the coordination compound reported by Bourne et al.,cis-bis(N-benzoyl-N'-propylthiourea)dichloroplatinum(Ⅱ), the two ligand molecules bind to Pt(Ⅱ)via the sulfur atoms only, the carbonyl oxygen atom being locked into hydrogen bond similar to that in the free ligands. 相似文献
93.
On General Mixed Quasivariational Inequalities 总被引:5,自引:0,他引:5
In this paper, we suggest and analyze several iterative methods for solving general mixed quasivariational inequalities by using the technique of updating the solution and the auxiliary principle. It is shown that the convergence of these methods requires either the pseudomonotonicity or the partially relaxed strong monotonicity of the operator. Proofs of convergence is very simple. Our new methods differ from the existing methods for solving various classes of variational inequalities and related optimization problems. Various special cases are also discussed. 相似文献
94.
By extracting combinatorial structures in well-solved nonlinear combinatorial optimization problems, Murota (1996,1998) introduced the concepts of M-convexity and L-convexity to functions defined over the integer lattice. Recently, Murota–Shioura (2000, 2001) extended these concepts to polyhedral convex functions and quadratic functions in continuous variables. In this paper, we consider a further extension to more general convex functions defined over the real space, and provide a proof for the conjugacy relationship between general M-convex and L-convex functions.Mathematics Subject Classification (1991): 90C10, 90C25, 90C27, 90C35This work is supported by Grant-in-Aid of the Ministry of Education, Culture, Sports, Science and Technology of Japan 相似文献
95.
In this work, the effect of flexibility on the trajectory of a planar two-link manipulator is studied using integrated computer-aided design/analysis (CAD/CAE) procedures. The solid models and finite element models of the parts of the manipulator are created by using the CAD/CAE software I-DEAS. The assembly is defined, and knowing the payload and the end point trajectory, the velocities and accelerations of the parts, joint forces and driving torques are calculated using the rigid body dynamics. All the time dependent nodal forces acting on the parts including distributed gravity and inertia forces are created in files with the I-DEAS program file format. The finite element vibration analysis of the parts is performed by I-DEAS. The end point vibrations and the deviations from the rigid-body trajectory are analyzed for different types of end point acceleration curves. A circular trajectory is considered as an example. It is observed that the precision of the manipulator can be increased by testing different end point acceleration curves without changing the trajectory and the duration of the end point work. The procedure explained in this work can be used for this purpose successfully. 相似文献
96.
In this paper, a unified approach for analysing finite dimensional approximations to a class of partial differential equations boundary value problems (second‐kind Fredholm differential equations) is introduced. The approach is shown to be general despite of its extremely simple form. In particular, it is expected to be useful in the convergence analysis of finite element methods for solving PDE problems. Three specific examples are presented to illustrate the broad applicability of the approach. Copyright © 2004 John Wiley & Sons, Ltd. 相似文献
97.
98.
Space time-index plots for probing dynamical nonstationarity 总被引:3,自引:0,他引:3
We propose a simple method to efficiently probe dynamical nonstationarity in observed time series. In a space time-index plot, the density distributions as a function of normalized time-index are V-shaped due to nonstationarity. We show that this method is workable for short data sets and typical examples are illustrated. 相似文献
99.
100.
汤旦林,王松柏.几种国际通用统计软件的比较,数理统计与管理,1997,16(1),48~53.本文对七种著名的国际通用统计软件作了扼要的介绍,并从用户的角度对它们的性能进行了具体的比较 相似文献