全文获取类型
收费全文 | 767篇 |
免费 | 44篇 |
国内免费 | 49篇 |
专业分类
化学 | 104篇 |
晶体学 | 3篇 |
力学 | 81篇 |
综合类 | 4篇 |
数学 | 448篇 |
物理学 | 220篇 |
出版年
2023年 | 10篇 |
2022年 | 12篇 |
2021年 | 15篇 |
2020年 | 22篇 |
2019年 | 19篇 |
2018年 | 22篇 |
2017年 | 23篇 |
2016年 | 21篇 |
2015年 | 19篇 |
2014年 | 25篇 |
2013年 | 63篇 |
2012年 | 17篇 |
2011年 | 31篇 |
2010年 | 43篇 |
2009年 | 41篇 |
2008年 | 39篇 |
2007年 | 48篇 |
2006年 | 34篇 |
2005年 | 40篇 |
2004年 | 29篇 |
2003年 | 40篇 |
2002年 | 33篇 |
2001年 | 17篇 |
2000年 | 24篇 |
1999年 | 22篇 |
1998年 | 23篇 |
1997年 | 25篇 |
1996年 | 7篇 |
1995年 | 7篇 |
1994年 | 4篇 |
1993年 | 5篇 |
1992年 | 8篇 |
1991年 | 5篇 |
1990年 | 5篇 |
1989年 | 2篇 |
1988年 | 4篇 |
1987年 | 6篇 |
1986年 | 6篇 |
1985年 | 5篇 |
1984年 | 7篇 |
1983年 | 5篇 |
1982年 | 8篇 |
1981年 | 4篇 |
1980年 | 2篇 |
1979年 | 2篇 |
1978年 | 3篇 |
1977年 | 3篇 |
1973年 | 1篇 |
1972年 | 1篇 |
1948年 | 1篇 |
排序方式: 共有860条查询结果,搜索用时 0 毫秒
71.
Robin van der Veer 《Discrete Mathematics》2019,342(9):2680-2693
72.
Gunnar Karlström 《Theoretical chemistry accounts》1980,55(3):233-241
A new method to evaluate the dispersion interaction between two weakly interacting closed shell molecules is presented. The method is based on a second-order sum-over-states perturbation method, where the nominator is approximated by products of one electron integrals. 相似文献
73.
证明了某文献提出的状态方程从形式到内容完全等同于范德瓦尔斯方程,其常量a和c不能用临界参量表示,而a-c则完全等同于范德瓦尔斯方程的常量a. 相似文献
74.
Analysis of the NMR spectra of 1,2,3-trichloropropane and 1,2,3-tribromopropane in various media shows the most stable conformer to be AG-. The populations of several conformera have been estimated by using pure trans and gauche coupling constants obtained from closely similar molecules. The calculated populations found in non-polar solvents agree well with those obtained by electron diffraction studies in the gas phase. It is suggested that the AG- form is stabilised relative to AG+ by the former having two parallel (1:3) halogen-hydrogen attractions against one in the AG+ form. Comparison is made to related molecules where the most stable conformers also have the greatest number of parallel (1:3) halogen-hydrogen interactions. 相似文献
75.
Oleg V. Voinov 《Journal of colloid and interface science》1998,200(2):197
Equilibrium of a capillary meniscus near a wetting film on a solid in a gravitational field is considered. Unlike previous studies, the present study proves that the fine meniscus structure in a gravitational field is a universal feature—it takes place in a wide variety of problems. In the general case, the capillary meniscus is at a certain distance from the wetting film and does not intersect it. The relation for the minimum distance from the arbitrary meniscus to the solid generalizes the Derjaguin formula for a flat slit. An equation that optimally approximates the meniscus with due account of the contribution of the meniscus/film transition region is derived. A refined solution to the problem of a meniscus on a vertical plate is derived within the perturbation theory. Both gravity and nonuniformity of the vertical static film above a capillary–gravitational meniscus do not affect the minimum distance (the influence is less than 0.0001). A general method for solving sophisticated problems of capillary equilibrium in gravitational field is proposed. 相似文献
76.
Valeria van Axel Castelli Antonella Dalla Cort Luigi Mandolini Valentina Pinto David N. Reinhoudt Fabrizio Ribaudo 《Supramolecular chemistry》2013,25(2-3):211-219
The complexation of the salophen-uranyl metallocleft 2 and of its half-cleft analogue 3 with enones and other carbonyl compounds was assessed in chloroform by UV-Vis titration and, occasionally, by FT-IR measurements. Complexes with receptors 2 and 3 are in all cases more stable than those with the control unsubstituted uranyl-salophen 1 , showing that in addition to the primary binding force provided by coordination of the carbonyl oxygen to the uranium, a significant driving force for complexation, typically in the range of 2-3 kcal/mol, results from van der Waals interactions of the guest with the aromatic walls. Replacement of the phenyl group in 3 with larger aromatic residues to give 4 and 5 , led to enhanced complex stabilities, due to more extended contact surfaces between host and guest. 相似文献
77.
Fabrice Gritti Irene Leonardis David Shock Paul Stevenson Andrew Shalliker Georges Guiochon 《Journal of chromatography. A》2010,1217(10):1589-1603
The performance of the new Kinetex-C18 column was investigated. Packed with a new brand of porous shell particles, this column has an outstanding efficiency. Once corrected for the contribution of the instrument extra column volume, the minimum values of the reduced plate heights for a number of low molecular weight compounds (e.g., anthracene and naphtho[2,3-a]pyrene) were between 1.0 and 1.3, breaking the legendary record set 3 years ago by Halo-C18 packed columns. The liquid-solid mass transfer of proteins (e.g., insulin and lyzozyme) is exceptionally fast on Kinetex-C18 much faster than on the Halo-C18 column. The different contributions of dispersion and mass transfer resistances to the column efficiency were determined and discussed. The possible reasons for this extremely high column efficiency are discussed. 相似文献
78.
为了探索趋磁微生物体对水溶液中Ni2+的吸附机理,考察微观作用力对吸附过程的影响,本文通过酸碱滴定实验确定了趋磁微生物体具有吸附作用的表面功能基团,建立了由体内磁小体Fe3O4和表面功能基团-PO3H,-OH,-COOH构成的趋磁生物体模型,并通过分子动力学模拟方法从静电作用、分子间作用、热运动等方面研究了磁小体和功能基团对Ni2+的吸附过程的影响规律。模拟结果证明对Ni2+的吸附过程是基团的静电吸引力和范德华力相互作用的综合结果,不同基团的静电引力强弱是有区别的。模拟结果还表明,Ni2+对-PO3H的趋聚倾向最大,对-OH的趋聚倾向次之,而对-COOH和Fe3O4的趋聚作用较弱。采用化学修饰法分别掩蔽菌体表面基团,并做了吸附实验,吸附效果与模拟结果完全吻合。这些结论将对生物磁选的开发应用提供新的理论依据。 相似文献
79.
We have performed large-scaleab initio calculations using second order Møller-Plesset perturbation theory (MP2) on the three van der Waals dimers formed from acetylene and carbon dioxide. Intermolecular geometrical parameters are reliably computed at this level of theory. Calculations of vibrational frequencies of the van der Waals modes, currently unobtainable by experimental means, give important information about the intermolecular potential and predict significant large-amplitude motion. Zero point energy contributions are shown to be vital in assessing the relative stability of conformations which are close in energy. Our studies suggest that the barrier to interconversion tunnelling in (CO2)2 is significantly smaller than previously inferred and is approximately the same as in (C2H2)2. The reason for the rigidity of (CO2)2 is the difference in monomer centre-of-mass separation between ground state and transition state. We also show that, in addition to the previously observedC
2v
form, the collinear form of C2H2-CO2 is a local minimum on its potential energy surface. 相似文献
80.
Shigeru Arimoto 《Journal of mathematical chemistry》2007,41(3):231-269
The present article is the first part of a series devoted to extending the Repeat Space Theory (RST) to apply to carbon nanotubes
and related molecular networks. Four key problems are formulated whose affirmative solutions imply the formation of the initial
investigative bridge between the research field of nanotubes and that of the additivity and other network problems studied
and solved by using the RST. All of these four problems are solved affirmatively by using tools from the RST. The Piecewise
Monotone Lemmas (PMLs) are cornerstones of the proof of the Fukui conjecture concerning the additivity problems of hydrocarbons.
The solution of the fourth problem gives a generalized analytical formula of the pi-electron energy band curves of nanotube
(a, b), with two new complex parameters c and d. These two parameters bring forth a broad class of analytic curves to which the PMLs and associated theoretical devices apply.
Based on the above affirmative solutions of the problems, a central theorem in the RST, called the asymptotic linearity theorem
(ALT) has been applied to nanotubes and monocyclic polyenes. Analytical formulae derived in this application of the ALT illuminate
in a new global context (i) the conductivity of nanotubes and (ii) the aromaticity of monocyclic polyenes; moreover an analytical
formula obtained by using the ALT provides a fresh insight into Hückel’s (4n+2) rule. The present article forms a foundation of the forthcoming articles in this series.
The present series of articles is closely associated with the series of articles entitled ‘Proof of the Fukui conjecture via
resolution of singularities and related methods’ published in the JOMC. 相似文献