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161.
Guangpeng Zhou Yulin Yang Ruiqing Fan Xinrong Liu Hengwu Hong Fuping Wang 《Solid State Sciences》2010,12(7):1103-1106
Using H3PO3 as a phosphorus source and oxalic acid as a reducing agent, the first three-dimensional open-framework gallium phosphate–phosphite formula as (C6N2H18)2(C6N2H17)Ga15(OH)8(PO4)2(HPO4)12(HPO3)6·2H2O (1), has been hydrothermally synthesized in the presence of N,N,N′,N′-tetramethylenediamine (TMEDA) as a structure-directing agent. Compound 1 crystallizes in trigonal system with space group P ? 3, a = b = 19.046(3) Å, c = 8.3306(17) Å, γ = 120°, V = 2617.1(7) Å3, and Z = 1. Its 3-D network is based on alternated Ga-centered (GaO4 tetrahedra, GaO5 trigonal bipyramids, and GaO6 octahedra) and P-centered (PO43?, HPO42?, and HPO32?) units. Protonated organic amines and water molecules are located in the 12-membered ring channels. 相似文献
162.
We describe a collinear velocity-map photoelectron imaging spectrometer, which combines a Wiley-McLaren time-of-flight mass analyzer with a dual-valve laser vaporization source for investigating size-selected cluster and reaction intermediate anions. To generate the reaction anions conveniently, two pulsed valves and a reaction channel are employed instead of premixing carrier gas. The collinear photoelectron imaging spectrometer adopts modified velocity-map electrostatic lens, and provides kinetic energy resolution better than 3%. The performance of the instrument is demonstrated on the photodetachment of Si4- at 532 and 355 nm, and Si3C- at 532 nm, respectively. In both cases, photoelectron spectra and anisotropy parameters are obtained from the images. For Si4-, the spectra show two well-resolved vibrational progressions which correspond to the ground state and the first excited state of the neutral Si4 with peak spacing of 330 and 312 cm-1, respectively. Preliminary results suggest that the apparatus is a powerful tool for characterizing the electronic structure and photodetachment dynamics of cluster anions. 相似文献
163.
基于傅里叶变换红外光声光谱的包膜控释肥料聚合物膜疏水性的表征 总被引:1,自引:0,他引:1
以不饱和有机硅改性的丙烯酸酯为基材,在不同条件下制备了30种水基聚合物包膜控释肥料模型膜,测定了模型膜的溶胀度及模型膜的傅里叶变换红外光声光谱.分别以红外光声光谱和溶胀度为自变量和因变量进行简单相关分析,同时也构建了偏最小二乘模型,并利用该模型对模型膜的疏水性进行预测.结果表明,聚合物模型膜具有明显不同的疏水性,其红外光声光谱具有相似的吸收特征,但不同吸收带的相对强度发生明显改变;常用的简单相关分析无法实现模型膜疏水性的预测,表明模型膜的疏水性与谱区更多的特征峰相关;基于偏最小二乘法的多元校正分析具有很好的预测能力,模型的校正系数(R2)为0.9864,校正标准误差为0.70%,验证标准误差为1.92%.此模型可用于模型膜疏水性的预测.本方法样品用量少,测定快速,操作简便且可实现原位测定,为控释肥料包膜材料的研制提供新的手段. 相似文献
164.
The synthesis of two cholesteric monomers (M1 and M2), nematic crosslinking agent (C1 and C2), and the corresponding side-chain elastomers containing menthyl groups (P1 and P2 series) is described. The mesomorphism was investigated by differential scanning calorimetry, polarizing optical microscopy,
X-ray diffraction, and thermogravimetric analysis. The effect of the content of the different nematic crosslinking unit on
the mesomorphism of the elastomers was discussed. M1 and M2 showed cholesteric and blue phases; C1 and C2 showed nematic phase. Because of the introduction of the nematic crosslinking unit, elastomers P1-1−P1-5 and P2-1−P2-5 exhibited cholesteric phase. With increasing the content of nematic crosslinking unit, T
g of the obtained elastomers revealed an increased tendency, and T
i of P1 series firstly increased then decreased, while T
i of P2 series decreased the mesomorphism of the corresponding elastomers when the content of nematic crosslinking unit was 12 mol.%. 相似文献
165.
有机膦化合物的碱度对深入了解有机膦类污染物的降解有着重要的意义. 发展基于第一性原理的理论方法精确计算有机膦化合物的pKa值有重要意义. 本研究工作发展了精确计算有机膦阳离子化合物pKa值的方法: 用B3LYP/6- 31+G(d)优化气相结构, PBEPBE计算单点能量, IEFPCM/Bondi (f=1.0)计算溶剂化能. 理论值与实验值比较, 其平均偏差和均方根差分别为-0.6 pKa单位和0.7 pKa单位. 基于此方法, 我们研究了常见有机膦污染物阳离子的碱性, 定量计算其pKa值. 并进一步讨论了这类化合物的α取代效应和远程取代效应对其碱性的影响, 总结了影响杂环有机膦化合物阳离子酸性的因素. 相似文献
166.
A theoretical model used for calculating the fluorescence depletion spectrum (FDS) of molecules in liquids induced by femtosecond pump-probe laser pulses is proposed based on the reduced density matrix theory. The FDS intensity is obtained by calculating the stimulated emission of the excited electronic state. As an application of the theoretical model, the FDS of oxazine 750 (OX-750) molecule in acetone solution is calculated. The simulated FDS agrees with the experimental result of Liu et al. [J. Y. Liu et al., J. Phys. Chem. A 107, 10857 (2003)]. The calculated vibrational relaxation rate is 2.5 ps(-1) for the OX-750 molecule. Vibrational population dynamics and wave packet evolution in the excited state are described in detail. The effect of the probe pulse parameter on the FDS is also discussed. 相似文献
167.
Bao-Yan Zhang Jian-She Hu Li-Qun Yang Xiao-Zhi He Cong Liu 《European Polymer Journal》2007,43(5):2017-2027
The synthesis of five chiral liquid crystalline monomers (M1-M5), and their corresponding side-chain polymers (P1-P5) based on (S)-(+)-2-methyl-1-butanol derivatives is described. The chemical structures of the monomers were confirmed by FT-IR, 1H NMR, and elemental analyses. The structure-property relationships of the monomers and polymers obtained are discussed. The mesomorphic properties were investigated by differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), polarizing optical microscopy (POM), and X-ray diffraction (XRD) measurements. All monomers showed a cholesteric phase. For M2, M3, and M5, besides a cholesteric phase and a smectic A (SA) phase, M2 also revealed an enantiotropic chiral smectic C phase and a monotropic smectic B (SB) phase, and M3 also showed a SB phase. The polymers P1-P5 exhibited a SA phase, moreover, P2, P3 and P5 also revealed a phase. The experimental results demonstrated that a flexible siloxane backbone and a long flexible spacer tended to exhibit a low glass transition temperature, high thermal stability, and wide mesophase temperature range. 相似文献
168.
An acidic functionalized ionic liquids (ILs) [HSO3-(CH2)3-NEt3]Cl-ZnCl2 was synthesized and used to catalyze the isomerization of α-pinene in a homogeneous system. The optimum conditions for isomerization were obtained as follows: n(α-pinene):n(ILs) = 9:1, reaction temperature 140 °C, and reaction time 4 h, α-pinene 0.04 mol. Under the optimal conditions, the conversion of α-pinene was 97.6 % and the selectivity for camphene could reach 64.8 %. In addition, the catalyst could be easily separated by centrifugation after the isomerization completely finished. When the ILs were repeatedly used for four times, the conversion of α-pinene and the selectivity for camphene were still excellent, indicating the superb recycle ability of the acidic functionalized ILs catalyst. 相似文献
169.
In this paper, PbTe nanocubes are assembled on Bi0.5Sb1.5Te3 substrates with both ordered and disordered structures through a straightforward method to form a P-N section. The work function of such semiconductor system is then measured by the ultraviolet photoelectron spectroscopy. This results show that the work function of orderly arrayed PbTe deposition is much lower than the disordered assemblies. Such change of the work function provides the possibility to tune it in a P-N section system. The change of the work function is attributed to the less surface roughness and easier electron escaping in the ordered structures. 相似文献
170.
Highly Enantioselective Direct Synthesis of Endocyclic Vicinal Diamines through Chiral Ru(diamine)‐Catalyzed Hydrogenation of 2,2′‐Bisquinoline Derivatives 下载免费PDF全文
Wenpeng Ma Jianwei Zhang Cong Xu Fei Chen Yan‐Mei He Prof. Dr. Qing‐Hua Fan 《Angewandte Chemie (International ed. in English)》2016,55(41):12891-12894
An asymmetric hydrogenation of 2,2′‐bisquinoline and bisquinoxaline derivatives, catalyzed by chiral cationic ruthenium diamine complexes, was developed. A broad range of chiral endocyclic vicinal diamines were obtained in high yields with excellent diastereo‐ and enantioselectivity (up to 93:7 dl/meso and >99 % ee). These chiral diamines could be easily transformed into a new class of chiral N‐heterocyclic carbenes (NHCs), which are important but difficult to access. 相似文献