全文获取类型
收费全文 | 792篇 |
免费 | 18篇 |
国内免费 | 117篇 |
专业分类
化学 | 887篇 |
晶体学 | 2篇 |
力学 | 1篇 |
综合类 | 3篇 |
数学 | 2篇 |
物理学 | 32篇 |
出版年
2023年 | 8篇 |
2022年 | 9篇 |
2021年 | 9篇 |
2020年 | 11篇 |
2019年 | 15篇 |
2018年 | 14篇 |
2017年 | 21篇 |
2016年 | 12篇 |
2015年 | 12篇 |
2014年 | 18篇 |
2013年 | 60篇 |
2012年 | 23篇 |
2011年 | 67篇 |
2010年 | 48篇 |
2009年 | 77篇 |
2008年 | 66篇 |
2007年 | 74篇 |
2006年 | 70篇 |
2005年 | 50篇 |
2004年 | 62篇 |
2003年 | 37篇 |
2002年 | 36篇 |
2001年 | 8篇 |
2000年 | 17篇 |
1999年 | 14篇 |
1998年 | 9篇 |
1997年 | 12篇 |
1996年 | 12篇 |
1995年 | 7篇 |
1994年 | 9篇 |
1993年 | 13篇 |
1992年 | 3篇 |
1991年 | 4篇 |
1989年 | 7篇 |
1988年 | 4篇 |
1986年 | 1篇 |
1985年 | 3篇 |
1984年 | 1篇 |
1983年 | 1篇 |
1982年 | 1篇 |
1981年 | 1篇 |
1966年 | 1篇 |
排序方式: 共有927条查询结果,搜索用时 0 毫秒
21.
环状碳酸酯低聚物的合成及其开环聚合的研究 总被引:4,自引:0,他引:4
环状碳酸酯低聚物的合成及其开环聚合的研究陈雨萍魏玮李革(中国科学院化学研究所工程塑料国家重点实验室北京100080)关键词环状碳酸酯低聚物,聚碳酸酯,开环聚合环状单体的开环聚合在合成高聚物方面具有突出的优点,即在聚合过程中没有副产物、热效应低、聚合... 相似文献
22.
23.
Xin ZhangDonald J. Burton 《Journal of fluorine chemistry》2002,116(1):15-18
The organometallic reagent, (EtO)2P(O)CF2ZnBr, reacts with 1-alkynyl halides (halide=Br, I) in the presence of Cu(I)Br to give good yields of α,α-difluoropropargylphosphonates via a one pot reaction. 相似文献
24.
Pina Romaniello 《Journal of fluorine chemistry》2004,125(2):145-149
The effect of fluorine atoms on the second-order optical nonlinear response of 4-nitro-4′-methoxy-trans-stilbene and polyene derivatives containing up to three double bonds (n=1, 2, 3) has been investigated within a semiempirical context (PM3 Hamiltonian). Experimental data reported in literature indicate a βvec(SHG) value of 34, 47 and 76 (×10−30 esu) for n=1, 2, 3, respectively, at 0.65 eV in CHCl3 solutions. Our calculations show that fluorinating the nitrophenyl group the βvec(SHG) is doubled. Further increase in the second-order nonlinear response can be obtained fluorinating the CC bond linkers between the aromatic moieties.Besides, the effect of different donor-acceptor pairs has been studied and the results interpreted in the two-state model context.Some results concerning the third-harmonic generation (THG), γ (THG), are presented, and a possible interpretation proposed. 相似文献
25.
Tetsuro Ito Toshiyuki TanakaMunekazu Iinuma Ibrahim IliyaKen-ichi Nakaya Zulfiqar AliYoshikazu Takahashi Ryuichi SawaYoshiaki Shirataki Jin MurataDedy Darnaedi 《Tetrahedron》2003,59(28):5347-5363
Five new resveratrol oligomers; pauciflorols A-C (1-3), isovaticanols B (6) and C (8), and three new oligostilbene glucosides; pauciflorosides A (11), B (13), C (14), were isolated from the stem bark of Vatica pauciflora (Dipterocarpaceae) together with known 17 resveratrol oligomers (4, 5, 7, 9, 10, 12 and 15-25) and bergenin (26). The structures of isolates were established on the basis of detailed spectroscopic analysis. The typical and characteristic spectral properties of some resveratrol oligomers were also discussed. 相似文献
26.
Vitalij V. Levin Pavel A. Belyakov Vladimir A. Tartakovsky 《Tetrahedron letters》2006,47(50):8959-8963
Nucleophilic addition of the pentafluorophenyl group from (C6F5)3SiF to non-activated imines affording α-C6F5-substituted secondary amines in high yield has been described. The reaction proceeds via simultaneous activation of imines and the silane reagent by means of a proton and chloride ion, respectively. 相似文献
27.
The aggregation behavior of fluorinated surfactant in aqueous solution was investigated using dissipative particle dynamics (DPD) simulation method. Simulation results show that fluorinated surfactants behave mainly as their hydrocarbon analogues, having similar sequences of phases and aggregate structures, which are capable of building micelle, hexagonal phase and lamellar phase. But fluorinated surfactants also show interesting differences from hydrocarbon analogues, which can easily form hexagonal and lamellar structures with comparative little curvature. They can also form ellipsoid or rod-like micelles even in very low concentrations instead of spheroid ones. The dynamic aggregation behavior of fluorinated surfactants, as well as the comparison with hydrogenated ones, was also investigated. 相似文献
28.
氟代乙烯阳离子的理论研究 总被引:1,自引:0,他引:1
用B3LYP和MP2方法及6-31G(d, p)、6-31+G(d, p)、6-311G(d, p)和6-311+G(d, p) 基组,对六种氟代乙烯阳离子做了理论研究,优化了它们的基电子态的结构,计算了对应分子的垂直电离势(VIP)和绝热电离势(AIP).结果表明,与具有非平面结构的乙烯阳离子不同,六种氟代乙烯阳离子都只具有平面结构;与分子结构相比,离子结构的C-C键增长, C-F键缩短, CCF键角变小. 自然布居分析计算表明,这些离子的正电荷主要分布在与F原子相连的C原子和各H原子上. B3LYP/6-311+G(d, p) 级别上计算的各分子的VIP和AIP值和实验值符合得很好. 使用含弥散基函数的基集可以明显提高这类分子的电离势的计算精度. 相似文献
29.
Time-dependent density functional theory (TD-DFT) calculations of the transition energies and oscillator strengths of fluorinated alkanes have been performed. The TD-DFT method with the non-local B3LYP potential yields transition energies for the methanes, which are smaller by about 10% as compared to the experimental values. An empirical linear correlation was found between the calculated and experimental transition energies both at the B3LYP/DZ+Ryd(C, F) and B3LYP/cc-pVTZ+Ryd(C, F, H) levels for a total of 19 transitions of the fluorinated methanes with linear correlation coefficients of 0.987 for the former and 0.988 for the latter. This empirical correlation for fluorinated methane molecules is found to agree well with the previously obtained empirical correlations between calculated and experimental values for non-fluorinated molecules. The results show that a single empirical-correlation relationship can be used for both non-fluorinated and fluorinated molecules to predict transition energies. This linear relationship is then used to predict the photoabsorption spectra of ethane, propane, butane, and partially and fully fluorinated derivatives. A key result of these calculations is the dominance of Rydberg transitions in the spectral region of interest. 相似文献
30.
Jianjun Xu 《Journal of fluorine chemistry》2004,125(5):725-730
High E/Z ratio (E/Z>75:25) 1-bromo-1-fluorostyrenes, which were prepared by isomerization of 1-bromo-1-fluorostyrenes (E/Z≈1:1), underwent the Heck reaction with methyl acrylate, and (2E, 4Z)-methyl 5-aryl-4-fluoropenta-2,4-dienoates were successfully isolated. Heck reactions of (Z)-1-bromo-1-fluorostyrenes also occur. However, the products are difficult to separate in a pure form, since they have an obvious tendency to isomerize on a silica gel column. 相似文献