全文获取类型
收费全文 | 4281篇 |
免费 | 301篇 |
国内免费 | 663篇 |
专业分类
化学 | 3387篇 |
晶体学 | 121篇 |
力学 | 24篇 |
综合类 | 27篇 |
数学 | 8篇 |
物理学 | 311篇 |
综合类 | 1367篇 |
出版年
2024年 | 7篇 |
2023年 | 34篇 |
2022年 | 95篇 |
2021年 | 133篇 |
2020年 | 120篇 |
2019年 | 87篇 |
2018年 | 100篇 |
2017年 | 116篇 |
2016年 | 158篇 |
2015年 | 157篇 |
2014年 | 208篇 |
2013年 | 311篇 |
2012年 | 285篇 |
2011年 | 210篇 |
2010年 | 230篇 |
2009年 | 243篇 |
2008年 | 260篇 |
2007年 | 314篇 |
2006年 | 273篇 |
2005年 | 262篇 |
2004年 | 263篇 |
2003年 | 222篇 |
2002年 | 164篇 |
2001年 | 126篇 |
2000年 | 155篇 |
1999年 | 90篇 |
1998年 | 90篇 |
1997年 | 87篇 |
1996年 | 77篇 |
1995年 | 73篇 |
1994年 | 46篇 |
1993年 | 50篇 |
1992年 | 42篇 |
1991年 | 34篇 |
1990年 | 25篇 |
1989年 | 22篇 |
1988年 | 22篇 |
1987年 | 18篇 |
1986年 | 7篇 |
1985年 | 6篇 |
1983年 | 2篇 |
1982年 | 2篇 |
1981年 | 5篇 |
1980年 | 3篇 |
1978年 | 1篇 |
1977年 | 1篇 |
1976年 | 1篇 |
1975年 | 2篇 |
1973年 | 2篇 |
1972年 | 2篇 |
排序方式: 共有5245条查询结果,搜索用时 15 毫秒
211.
《Journal of computational chemistry》2017,38(10):659-668
We report an enhanced sampling technique that allows to reach the multi‐nanosecond timescale in quantum mechanics/molecular mechanics molecular dynamics simulations. The proposed technique, called horsetail sampling, is a specific type of multiple molecular dynamics approach exhibiting high parallel efficiency. It couples a main simulation with a large number of shorter trajectories launched on independent processors at periodic time intervals. The technique is applied to study hydrogen peroxide at the water liquid–vapor interface, a system of considerable atmospheric relevance. A total simulation time of a little more than 6 ns has been attained for a total CPU time of 5.1 years representing only about 20 days of wall‐clock time. The discussion of the results highlights the strong influence of the solvation effects at the interface on the structure and the electronic properties of the solute. © 2017 Wiley Periodicals, Inc. 相似文献
212.
《应用有机金属化学》2017,31(5)
Tungstate salt with imidazolium framework is found to be a recoverable and heterogeneous system favouring the highly selective oxidation of primary benzylic alcohols to corresponding aldehydes with 30% H2O2 as a green oxidant under neutral aqueous reaction conditions. Furthermore, in order to demonstrate the recyclability of the catalyst, it was recovered and efficiently reused in seven succeeding reaction cycles without any significant loss. The use of green solvent, very short reaction time with excellent yields and recyclability of the catalyst make this protocol highly advantageous. 相似文献
213.
Environmental Fenton chemistry has been poorly constrained within the marine environment at a multi-component level. A simple, unique, reconfiguration of a flow-injection analytical system combined with luminol chemiluminescence allows quasi-simultaneously the measurement, using a single load-inject valve and a single photon multiplier tube, of reduced iron, Fe(II), and hydrogen peroxide. The system enables rapid, every 22 s, measurements with good accuracy at environmentally relevant concentrations, less than 5% relative standard deviations on both a 5 nM Fe(II) standard and a 60 nM hydrogen peroxide standard. Limits of detection were as low as 40 pM Fe(II) and 100 pM hydrogen peroxide. The system showed excellent capability by measuring from within an organic rich seawater the photochemically induced production of Fe(II) and hydrogen peroxide and their subsequent cycling and Fenton like interactions. 相似文献
214.
Ryota Tsutsumi Tokio Sasaki Chisato Hashiguchi Ryota Yamazaki Syuji Fujii 《Composite Interfaces》2018,25(8):743-760
In order to reinforce the composite consisting of isoprene rubber (IR) and calcium carbonate (CaCO3) particles, the surface treatment of CaCO3 particles with a mixture of amino- and mercapto-functional silane coupling agents was investigated. The quantity of chemisorbed silanes in treated CaCO3 measured using thermogravimetry was greater for amino- than for mercapto-silane and for the tri- than for the dialkoxy structure. Second, the molecular mobility of polycondensate of the mixtures with the trialkoxy structure measured using 1H pulse nuclear magnetic resonance had the least molecular mobility, i.e., formed the highest density network. The greater values of stress at 500% strain, fracture stress, and elongation at break were determined for the treatment with amino- and mercapto-functional silanes having a trialkoxy structure from the stress-strain curves of composite. The mixture treatment with dialkoxy structure and with amino- or mercapto-functional silane only did not improve the mechanical properties sufficiently. Interactions between the amino group and the CaCO3 surface, covalent bonding between the mercapto group and the IR, and high density network formation of trialkoxy silane were important for improving the mechanical properties of the composite. 相似文献
215.
H. Herzmann 《Isotopes in environmental and health studies》2013,49(2):45-52
Radioaktiv markierte Präparate haben in denletzten Jahren in schnell zunehmendem Maße Eingang in die klinische Medizin gefunden. Sie sind beieiner Reihe von Indikationen schon jetzt außerordentlich wertvolle Hilfsmittel bei der Diagnose, besonders bei der Prüfung von Organfunktionen. 相似文献
216.
217.
Qianyu Yu Xiaoteng Ma Yingze Liu Prof. Dr. Hanying Zhao 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(72):16712-16717
Protein nanogels have found a wide variety of applications, ranging from biocatalysis to drug/protein delivery. However, in practical applications, proteins in nanogels may suffer from enzymic hydrolysis and denaturation. Inspired by the structure and functionalities of the fowl eggshells, biomimetic mineralization of protein nanogels was studied in this research. Protein nanogels with embedded porcine pancreas lipase (PPL) in the cross-linked nanostructures were synthesized through the thiol–disulfide reaction between thiol-functionalized PPL and poly(N-isopropylacrylamide) with pendant pyridyl disulfide groups. The nanogels were further reacted with reduced bovine serum albumin (BSA) and BSA molecules were coated on the nanogels. Mineralization of BSA leads to the synthesis of biomineralized shells on the nanogels. With the growth of CaCO3 on the shells, the nanogels aggregate into suprastructures. Thermogravimetric analysis, XRD, dynamic light scattering, and TEM were employed to study the mechanism of the biomineralization process and analyze the structures of the mineralized nanogels. The biomineralized shells can effectively protect the PPL molecules from hydrolysis by trypsin; meanwhile, the nanosized channels on the mineralized shells allow the transport of small-molecule substrates across the shells. Bioactivity measurements indicate that PPL in the nanogels maintains more than 80 % bioactivity after biomineralization. 相似文献
218.
Selective O-benzoylation of hydroxamic acids is achieved by the treatment of BPO and DABCO. Aliphatic alcohols are not reactive under these conditions. Various radical or oxidation sensitive functional groups are compatible with this protocol, and no anhydrous reagents or solvents are required for the high yields of the benzoylations. 相似文献
219.
220.
Martin Sweeney Darren Conboy Styliana I. Mirallai Fawaz Aldabbagh 《Molecules (Basel, Switzerland)》2021,26(9)
This review article provides a perspective on the synthesis of alicyclic and heterocyclic ring-fused benzimidazoles, imidazo[4,5-f]benzimidazoles, and imidazo[5,4-f]benzimidazoles. These heterocycles have a plethora of biological activities with the iminoquinone and quinone derivatives displaying potent bioreductive antitumor activity. Synthesis is categorized according to the cyclization reaction and mechanisms are detailed. Nitrobenzene reduction, cyclization of aryl amidines, lactams and isothiocyanates are described. Protocols include condensation, cross-dehydrogenative coupling with transition metal catalysis, annulation onto benzimidazole, often using CuI-catalysis, and radical cyclization with homolytic aromatic substitution. Many oxidative transformations are under metal-free conditions, including using thermal, photochemical, and electrochemical methods. Syntheses of diazole analogues of mitomycin C derivatives are described. Traditional oxidations of o-(cycloamino)anilines using peroxides in acid via the t-amino effect remain popular. 相似文献