全文获取类型
收费全文 | 1037篇 |
免费 | 57篇 |
国内免费 | 23篇 |
专业分类
化学 | 927篇 |
晶体学 | 5篇 |
力学 | 29篇 |
数学 | 60篇 |
物理学 | 96篇 |
出版年
2024年 | 4篇 |
2023年 | 7篇 |
2022年 | 34篇 |
2021年 | 38篇 |
2020年 | 67篇 |
2019年 | 61篇 |
2018年 | 87篇 |
2017年 | 44篇 |
2016年 | 82篇 |
2015年 | 59篇 |
2014年 | 79篇 |
2013年 | 142篇 |
2012年 | 75篇 |
2011年 | 79篇 |
2010年 | 62篇 |
2009年 | 50篇 |
2008年 | 55篇 |
2007年 | 32篇 |
2006年 | 9篇 |
2005年 | 13篇 |
2004年 | 7篇 |
2003年 | 9篇 |
2002年 | 6篇 |
2001年 | 6篇 |
1999年 | 2篇 |
1994年 | 1篇 |
1991年 | 1篇 |
1986年 | 1篇 |
1985年 | 3篇 |
1980年 | 1篇 |
1976年 | 1篇 |
排序方式: 共有1117条查询结果,搜索用时 15 毫秒
1.
2.
Mark Edgar Dee Hayward Fatemeh Zeinali Shahzad Riaz George W. Weaver 《Magnetic resonance in chemistry : MRC》2020,58(2):170-185
A simple to use nuclear magnetic resonance analysis method has been tested on complex 1H, 19F, and 13C multiplets. This open-source line-shape analysis method analysis of total lineshape (ANATOLIA)1 provides some significant advantages over traditional assign-iterate methods of NMR spectral analysis by avoiding false minima and progressing optimisation to the global minimum. The target molecules are 1-perfluorotol-4-yl-2-perfluorotol-4-yl-oxymethyl-1H-benzimidazole (molecule-I) and 1-tetrafluoropyrid-4-yl-2-tetrafluoropyrid-4-yl-thio-1H-benzimidazole (molecule-II) which were produced as part of a family of fluorinated drug scaffolds prepared for anticancer and antiparasitic screening. Spectra display significant second-order effects with 1H Δδ = 3.68 and 4.67 Hz for the aromatic hydrogen “triplets”, with 19F 4JAA', 4JBB', 4JXX', and 4JYY' coupling constants range from +4.8 to −14.0 Hz and for 13C-isotopomers 19F Δδ of up to 111.56 Hz. A spin-system of six coupling nuclei (HaHbHcHd FYFY') was analysed in 12 s, a spin-system of nine coupling fluorine nuclei (AA'BB'CCC-YY') was analysed within 2 min, and 10 coupling nuclei (XX'YY'ZZZ-BB'-Hd) was optimised in 6 min using a laptop computer. ANATOLIA was also robust enough to be able to yield accurate spectral values from inaccurate input values. In both compounds, a fluorine–fluorine coupling constant was identified between the two fluoro-aromatic rings (FBB' and FYY') of +4.05 and +4.67 Hz and attributed to a through-space interaction. Ab initio structure optimisations and coupling constant calculations provided useful input data for spectral analysis. A modern 19F nuclear magnetic resonance spectrum of perfluorotoluene (octafluorotoluene) and analysis from 1975 was used as a test data set to assess ANATOLIA. 相似文献
3.
Mohammad Ali Zolfigol Iraj Mohammadpoor-BaltorkDavood Habibi BiBi Fatemeh MirjaliliAbdolhamid Bamoniri 《Tetrahedron letters》2003,44(44):8165-8167
Primary and secondary trimethylsilyl ethers were converted to their corresponding ethers in the presence Nafion-H® with good to excellent yields under mild and heterogeneous conditions. 相似文献
4.
5.
Mohammad Ali Karimi Mohammad Mazloum Ardakani Omran Moradlou Reza Behjatmanesh‐Ardakani Fatemeh Banifatemeh 《中国化学会会志》2007,54(1):15-21
Simultaneous kinetic‐spectrophotometric determination of a ternary mixture of hydrazine (HZ) and its derivatives by principal component regression (PCR) and partial least squares (PLS) calibration is described. The methods were based on the difference observed in the reduction rate of iron(III) with HZ, thiosemicarbazide (TSCZ) and phenylhydrazine (PHZ) in the presence of 2,2′‐bipyridine (Bpy). The colored complex of [Fe(Bpy)3]2+ was formed in sodium dodecyl sulfate (SDS) as micellar media, and then monitored at 520 nm. The results showed that simultaneous determination of HZ, TSCZ and PHZ could be performed in their concentration ranges of 1.0–70.0, 0.2–6.0 and 0.1–10.0 μg mL?1, respectively. The root mean squares errors of prediction (RMSEP) of HZ, TSCZ and PHZ were 0.719, 0.164 and 0.105 (for PLS) 0.788, 0.166 and 0.993 (for PCR), respectively. Both methods (PCR and PLS) were validated using a set of synthetic sample mixtures and then applied for simultaneous determination of HZ, TSCZ and PHZ in water samples. 相似文献
6.
Fatemeh F. Bamoharram Majid M. Heravi Mina Roshani Ali Gharib Manouchehr Jahangir 《中国化学会会志》2007,54(4):1017-1020
Synthesis of aspirin at room temperature via O‐acetylation of salicylic acid in the presence of Preyssler type heteropolyacids has been investigated in order to contribute toward clean technology, which is the most important need of the society. All of the catalysts are recyclable and reusable. 相似文献
7.
An analytical method using alumina modified with water-soluble polyacrylic acid polymer for the simultaneous separation and
preconcentration of trace Cu and Cd in a column system, and their determination by flame atomic absorption spectrometry was
developed. The conditions for coating Al2O3 with polyacrylic acid were optimized, then the column was packed with 50 mg of this sorbent. Cd and Cu solution was passed
through a glass column at pH 4.5, and elution was carried out with 5 mL of 0.05 M HCl at a flow rate of 1 mL min−1. A sorption capacity of 10 mg Cu and 12 mg Cd was obtained for 1 g sorbent. The detection limit was calculated as 4.5 μg L−1 for Cu and 1.54 μg L−1 for Cd in the final solution. Enrichment factors of 300 for Cd and 400 for Cu were obtained. 相似文献
8.
alpha-Glycylglycine in its actual crystalline phase is studied by ab initio calculated nuclear quadrupole coupling constants. These physical quantities are computed for 2H and 14N in the hydrogen bonds. The type of hydrogen bond is the N-H...O type. The computations are performed with the RHF and B3LYP methods and 6-31++G** and 6-311++G** basis sets using the Gaussian 98 program. Values of the calculated nuclear quadrupole coupling constants are shown in Tables 1-3. The aim of this work is the study of 2H and 14N quadrupole coupling constants which contribute in the CON2H...O=CN2H type of hydrogen bond. The computed nuclear quadrupole coupling constants of 2H nuclei meet the related experimental values. In addition, the computed chi value of 14N belonging to the -CO-14NH- group agrees well with values obtained experimentally. However, there are some discrepancies between calculated 14N chi values of the N+H3 residue and experiments. Also, the values of these physical parameters are calculated for >C2H2 of alpha-glycylglycine in its crystalline phase. Calculations for these parameters are carried out in a single molecule using X-ray diffraction coordinates, too. 相似文献
9.
Leili Mohammadi Hossein Kamani Abolfazl Asghari Amin Mohammadpour Mohammad Golaki Abbas Rahdar George Z. Kyzas 《Molecules (Basel, Switzerland)》2022,27(19)
High concentrations of antibiotics have been identified in aqueous media, which has diminished the quality of water resources. These compounds are usually highly toxic and have low biodegradability, and there have been reports about their mutagenic or carcinogenic effects. The aim of this study was to apply zero-valent iron-oxide nanoparticles in the presence of hydrogen peroxide and the sonolysis process for the removal of the amoxicillin antibiotic from aqueous media. In this study, zero-valent iron nanoparticles were prepared by an iron chloride reduction method in the presence of sodium borohydride (NaBH4), and the obtained nanoparticles were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), and vibrating-sample magnetometry (VSM). Then, using a Fenton-like process, synthetic wastewater containing 100 to 500 mg/L amoxicillin antibiotic was investigated, and the effects of different parameters, such as the frequency (1 and 2 kHz), contact time (15 to 120 min), the concentration of hydrogen peroxide (0.3%, 0.5%, and 6%), the dose of zero-valent iron nanoparticles (0.05, 0.1, 0.5 g/L), and pH (3, 5, 10) were thoroughly studied. A pH of 3, hydrogen peroxide concentration of 3%, ultrasonic-wave frequency of 130 kHz, zero-valent iron nanoparticles of 0.5 g/L, and contaminant concentration of 100 mg/L were obtained as the optimal conditions of the combined US/H2O2/nZVI process. Under the optimal conditions of the combined process of zero-valent iron nanoparticles and hydrogen peroxide in the presence of ultrasonic waves, a 99.7% removal efficiency of amoxicillin was achieved in 120 min. The results show that the combined US/H2O2/nZVI process could be successfully used to remove environmental contaminants, including antibiotics such as amoxicillin, with a high removal percentage. 相似文献