全文获取类型
收费全文 | 40425篇 |
免费 | 7392篇 |
国内免费 | 5607篇 |
专业分类
化学 | 15552篇 |
晶体学 | 386篇 |
力学 | 1883篇 |
综合类 | 267篇 |
数学 | 2765篇 |
物理学 | 19296篇 |
无线电 | 13275篇 |
出版年
2024年 | 193篇 |
2023年 | 648篇 |
2022年 | 1029篇 |
2021年 | 1374篇 |
2020年 | 1596篇 |
2019年 | 1346篇 |
2018年 | 1275篇 |
2017年 | 1649篇 |
2016年 | 1882篇 |
2015年 | 1925篇 |
2014年 | 2678篇 |
2013年 | 3156篇 |
2012年 | 2730篇 |
2011年 | 2758篇 |
2010年 | 2300篇 |
2009年 | 2539篇 |
2008年 | 2779篇 |
2007年 | 2781篇 |
2006年 | 2577篇 |
2005年 | 2172篇 |
2004年 | 1884篇 |
2003年 | 1770篇 |
2002年 | 1442篇 |
2001年 | 1290篇 |
2000年 | 1169篇 |
1999年 | 1021篇 |
1998年 | 879篇 |
1997年 | 773篇 |
1996年 | 645篇 |
1995年 | 551篇 |
1994年 | 472篇 |
1993年 | 363篇 |
1992年 | 319篇 |
1991年 | 251篇 |
1990年 | 194篇 |
1989年 | 186篇 |
1988年 | 150篇 |
1987年 | 102篇 |
1986年 | 85篇 |
1985年 | 85篇 |
1984年 | 62篇 |
1983年 | 28篇 |
1982年 | 54篇 |
1981年 | 50篇 |
1980年 | 37篇 |
1979年 | 44篇 |
1978年 | 18篇 |
1977年 | 29篇 |
1974年 | 20篇 |
1973年 | 14篇 |
排序方式: 共有10000条查询结果,搜索用时 15 毫秒
971.
972.
Unrestricted Hartree-Fock calculations with large basis sets, including d-functions, and the estimation of the correlation energy, show that the potential energy surface for the Li-CO2 complex is built from the crossing of two states, each of them corresponding to a different electron arrangement. One has a strong ionic character and the other is of van der Waals type. Each portion of the energy surface presents a minimum, which is stable in respect to the dissociation limit. 相似文献
973.
报道了两个苯并硫杂冠醚的电子电离质谱,利用高分辩质谱(HRMS)和碰撞活化-质量分析动能谱(CAD-MIKE谱)研究了它们的离子碎裂途径。苯并硫杂冠醚含两个硫原子的碎片离子进一步断裂时以丢失C2H4S为特征。 相似文献
974.
本文通过红外光谱(FT-IR)测量数据和预测数据,计算与研究了十九种长链正烷基脂肪酸(简称脂肪酸或碳酸)的碳链骨架振动能量。结果显示出脂肪酸的碳链骨架振动能量随碳数增加呈阶梯状关系,而且脂肪酸的碳链骨架振动能量∑E出现奇偶数更迭规律。此结果可用来解释脂肪酸的熔点或熔化热呈现奇偶数更迭现象。 相似文献
975.
Absolute small angle X-ray studies of concentration fluctuations were performed in order to determine thermodynamic properties of a model blend, consisting ofn-hexane and perfluoro-n-hexane. The quantities which we determined were the second derivate of the Gibbs free energy of mixing with respect to the concentration of the components, the location of the spinodal, interaction and solubility parameters, the energy gradient density coefficient as well as the correlation length of the fluctuations at various compositions and temperatures, particularly in the neighbourhood of the spinodal and the critical point. The data obtained were compared with those obtainable from the well known location of the binodal, to test the reliability of the scattering method. 相似文献
976.
Guihua Huang Yipeng Huang Wei Xu Qiuhong Yao Xiaofang Liu Caifeng Ding Xi Chen 《中国化学快报》2019,30(5):1021-1023
Using cesium lead halide perovskite nanocrystals, CsPb(Cl/Br)_3, as a light absorber, we report a highly effective UV and blue light blocking film. The CsPb(Cl/Br)_3 nanocrystals are well dispersed in the ethyl cellulose(EC) matrix to compose a UV and blue light shielding film, and the absorption edge of the film is tunable by adjusting Cl to Br ratio using anion exchange. The CsPbCl_2 Br-EC film exhibits a transmittance of 5% at 459 nm, 90% at 478 nm and 95% in the range of 500–800 nm, which makes it excellent for UV and blue light shielding. In addition, the as-prepared EC-CsPb(Cl/Br)_3 film shows excellent photostability under UV irradiation. Results demonstrate that this EC-CsPb(Cl/Br)_3 based materials with sharp absorbance edges, tunable blocking wavelength, and high photostability can be useful for the applications in UV and blue light blocking and optical filters 相似文献
977.
A unique approach to non-covalent electron and energy transfer is described that is based on the formation of salt bridges between oppositely charged porphyrin units. A new class of electrostatically linked dimeric and pentameric porphyrins was synthesized by interaction of novel anionic boron containing porphyrins such as 5-(benzamidodecahydro-closo-dodecaborate)-10,15,20-triphenylporphyrin (N1) and meso-tetrakis-benzamidodecahydro-closo-dodecaborate)porphyrin (N2) and a variety of cationic meso-tetraarylporphyrin units. A bipyridine linked dimer (N1 · bpy · N1) was also prepared by employing N,N′-dimethyl-4,4′-bipyridinium (bpy) as a spacer between two mono-anionic species. A quinone-porphyrin dyad was also prepared for electron or energy transfer demonstration. All the synthesized assemblies were characterized by NMR, IR, UV-Vis, and mass spectroscopy. Significant spectral changes occurred in the absorption spectra of these non-covalent porphyrin assemblies compared to those of the reference monomers, indicating the presence of electronic interaction between the adjacent porphyrin units. Resonance light scattering was also used to study the formation of these assemblies in solution. 相似文献
978.
Yingkai Zhang 《Theoretical chemistry accounts》2006,116(1-3):43-50
This perspective article mainly focuses on the development and applications of a pseudobond ab initio QM/MM approach to study enzyme reactions. The following aspects of methodology development are discussed: the approaches for the QM/MM covalent boundary problem, an efficient iterative optimization procedure, the methods to determine enzyme reaction paths, and the approaches to calculate free energy change in enzyme reactions. Several applications are described to illustrate the capability of the methods. Finally, future directions are discussed. 相似文献
979.
A. D. Smirnov 《Journal of Structural Chemistry》2003,44(5):757-762
The vibrational, rotational, and centrifugal constants have been calculated for the ground electronic states of KRb and RbCs molecules. The calculation is performed using the semiempirical potential curves constructed in a wide range of internuclear distances. The estimated spectroscopic constants are compared with experimental data. 相似文献
980.
This work describes a hybrid procedure for eliminating major interference sources in aqueous near-infrared (NIR) spectra, that include aqueous influence, noise, and systemic variations irrelevant to concentration. The scheme consists of two parts: extension of wavelet prism (WPe) and orthogonal signal correction (OSC). First, WPe is employed to remove variations due to aqueous absorbance and noise; then OSC is applied to remove systemic spectral variations irrelevant to concentration. Although water possesses strong absorption bands that overshadow and overlap the absorption bands of analytes, along with noise and systematic interference, successful calibration models can be generated by employing the method proposed here. We show that the elimination of major interference sources from the aqueous NIR spectra results in a substantial improvement in the precision of prediction, and reduces the required number of PLS components in the model. In addition, the strategy proposed here can be applied to various analytical data for quantitative purposes as well. 相似文献