全文获取类型
收费全文 | 5936篇 |
免费 | 1516篇 |
国内免费 | 446篇 |
专业分类
化学 | 1474篇 |
晶体学 | 67篇 |
力学 | 1231篇 |
综合类 | 123篇 |
数学 | 678篇 |
物理学 | 4325篇 |
出版年
2024年 | 22篇 |
2023年 | 55篇 |
2022年 | 131篇 |
2021年 | 152篇 |
2020年 | 168篇 |
2019年 | 154篇 |
2018年 | 160篇 |
2017年 | 237篇 |
2016年 | 263篇 |
2015年 | 236篇 |
2014年 | 429篇 |
2013年 | 414篇 |
2012年 | 382篇 |
2011年 | 411篇 |
2010年 | 321篇 |
2009年 | 348篇 |
2008年 | 358篇 |
2007年 | 394篇 |
2006年 | 403篇 |
2005年 | 340篇 |
2004年 | 282篇 |
2003年 | 265篇 |
2002年 | 236篇 |
2001年 | 228篇 |
2000年 | 206篇 |
1999年 | 205篇 |
1998年 | 175篇 |
1997年 | 145篇 |
1996年 | 133篇 |
1995年 | 99篇 |
1994年 | 89篇 |
1993年 | 62篇 |
1992年 | 61篇 |
1991年 | 57篇 |
1990年 | 34篇 |
1989年 | 24篇 |
1988年 | 26篇 |
1987年 | 32篇 |
1986年 | 22篇 |
1985年 | 18篇 |
1984年 | 24篇 |
1983年 | 8篇 |
1982年 | 19篇 |
1981年 | 18篇 |
1980年 | 14篇 |
1979年 | 9篇 |
1978年 | 9篇 |
1977年 | 4篇 |
1976年 | 6篇 |
1957年 | 2篇 |
排序方式: 共有7898条查询结果,搜索用时 15 毫秒
91.
The title compound, (isopropylxanthato)(phenyl)mercury(I), was synthesized and characterized by elemental analysis, IR and thermogravimetric analysis. Density functional theory (DFT) method calculations were performed at B3LYP/CEP-121G and B3LYP/CEP-31G levels of theory, respectively. Vibrational frequencies were predicted, assigned, compared with the experimental values, and they are supported each other. The calculated results show that the strength of bond Hg—C is stronger than that of Hg—S, which is good agreement with the experimental data. The calculations of the second order optical nonlinearity and electronic absorption spectra are also performed. 相似文献
92.
The influence of internal excitation on the reactions of O
2
+
+ CH4 and of CO
2
+
+ NO has been investigated using a slow flow drift tube. The rate coefficients for these reactions obtained as a function of relative kinetic energy in various buffer gases like He, Ne, Ar, and Kr showed higher values under conditions where the internal excitation of the reactant ions was enhanced. For both reactions the lowest reactivity at all kinetic energies was observed to occur in He, indicating that He is the least effective buffer for collisionally inducing internal excitation of molecular ions. 相似文献
93.
Pt/钇稳定氧化锆固体电解质在高温下的电化学性质 总被引:1,自引:0,他引:1
用交流阻抗技术研究了二电极、三电极Pt/钇稳定氧化锆(简称YSZ)高温固体电化学体系.开路电位下,Pt/YSZ体系只有一个阻抗半圆,对应于电极体系的电化学活化控制过程,极化电阻随温度变化的表观活化能为171.5kJ/mol.Pt/YSZ界面的双电层电容约为300μF/cm2.阳极极化下,交流阻抗极化电阻显著减小;阴极极化下,极化电阻反而增大,并出现浓差控制现象. 相似文献
94.
The molecular and electronic structure of the ground state of peroxyacetyl nitrate (PAN) was calculated by the unrestricted
Hartree-Fock-Roothaan method with the use of the standard 3–21G and 6–31G basis set. The potential curve of the internal rotation
about the peroxide bond of PAN was calculated with the 6–31G basis set. The curve contains two maxima. The ground state of
PAN is characterized by a structure in which groups of atoms adjacent to the peroxide bond lie in planes that are perpendicular
to each other (the dihedral angle ϱ(COON) is 89.9°). The calculated barriers to rotation are 19.6 and 66.8 kJ mol−1.
Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 4, pp. 600–604, April, 1998. 相似文献
95.
The dependence of the frequency factor on the temperature (A=A
0
T
m) has been examined and the errors involved in the activation energy calculated from some integral methods without considering
such dependence have been estimated. Investigated integral methods are the Coats-Redfern method, the Gorbachev-Lee-Beck method,
the Wanjun-Yuwen method and the Junmeng-Fusheng method. The results have shown that the error in the determination of the
activation energy calculated ignoring the dependence of the frequency factor on the temperature can be rather large and it
is dependent on x=E/RT and the exponent m. 相似文献
96.
采用Hartree-Fock和MP2方法在多种水平下优化了(H2O)^+n(n =1,2)的几何结构,并进行了振动光谱分析。结果表明:对(H2O)^+采用MP2/6-311++G(d,p)可得出最满意的结论。 相似文献
97.
MinNaYAO YaoQunLI 《中国化学快报》2004,15(1):109-111
Total imernal reflection fluorescence spectroscopy (TIRF) and synchronous scanning technique were combined to study the adsorption behavior of the meso-tetrakis (4-sulfonatophenyl)porphyrin (TPPS) at the glass-water interface without any surfactant. The pH dependence of synchronous fluorescence signal at the interface was analyzed. Both unprotonated (TPPS^4-) and diprotonated (H2TPPS^2-) forms of TPPS were observed at the interface. But the interface favored the adsorption of. The apparent estimated pKa2 value shifted from 5.00 in the bulk solution to 2.7 at the interface. STIRF provides a good technique to study multi-component systems at the interface. 相似文献
98.
UV absorption spectra of acetyl fluoride-h3 and -d3 (CH3COF and CD3COF) molecules in the region of S1S0 electronic transitions are investigated. The origins (00
0 or 140±
0) of these transitions are observed at 39912 and 39904 cm–1, respectively, and some of the fundamental frequencies of these molecules in the s0 and S1 states are determined. In particular, the systems of torsion and inversion (out-of-plane C=O vibrations) energy levels are studied. The geometric parameters of an acetyl fluoride-h3 molecule in the S1 state are estimated by the theoretical simulation of the rotational contours of the 00
0 (140±
0) band. These data are used to evaluate the potential barriers to internal rotation in the S0 and S1 states, which were found to be 360 and 560 cm–1 for acetyl fluoride-h3 and 380 and 770 cm–1 for acetyl fluoride-d3, respectively, as well as the potential barriers to inversion in the S1 states, which were found to be 2090 and 2370 cm–1 for acetyl fluoride-h3 and acetyl fluoride-d3, respectively.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 11, pp. 1957–1964, November, 1994.In conclusion, the authors would like to acknowledge T. S. Kuznetsova for the synthesis and purification of the AF samples.The research presented here was supported in part by the International Science Foundation under grant No. MJ 1000. 相似文献
99.
P.W. ZhuY.N. Zhao B. WangZ. He D.M. LiG.T. Zou 《Journal of solid state chemistry》2002,167(2):420-424
We present low stress cubic boron nitride (cBN) films with a transition layer deposited on the metal alloy substrates by tuned substrate radio-frequency magnetron sputtering. The films were characterized by Fourier transform infrared spectroscopy and transmission electron microscopy (TEM). The IR peak position of cubic boron nitride at 1006.3 cm−1, which is close to the stressless state, indicates that the film has very low internal stress. The TEM image shows that pure CBN phase exists on the surface of the film. Several phases of boron nitride were found at the medium implantation dose. It is believed that the transition from the low ordered phases to cBN phase occurred during implantation. 相似文献
100.
为研究老年人彩色视觉频率响应特性,获取彩度对比敏感度与空间频率之间的函数关系,本文在LCH均匀颜色空间基础上,固定明度和色调角值,以彩度作为变量,设计人眼彩度对比敏感度实验,进行人眼视觉观察实验。获得彩度对比敏感度与空间频率的关系,并构建指数型对比敏感度函数模型。经分析表明老年人眼彩度对比敏感度随着空间频率的增加,产生先升高再缓慢降低的变化,各色调角下彩度对比度存在差异。经分析人眼对比敏感度差异与人眼视觉辨色特性有很大的相关性。并且,将构建的对比敏感度函数模型用于实现基于人眼视觉系统的滤波处理。 相似文献