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181.
M. Sc. Benjamin Scheibe Clemens Pietzonka M. Sc. Otto Mustonen Prof. Dr. Maarit Karppinen Prof. Dr. Antti J. Karttunen Prof. Dr. Mihail Atanasov Prof. Dr. Frank Neese Dr. Matthias Conrad Prof. Dr. Florian Kraus 《Angewandte Chemie (International ed. in English)》2018,57(11):2914-2918
The D2h‐symmetric dinuclear complex anion [U2F12]2? of pastel green Sr[U2F12] shows a hitherto unknown structural feature: The coordination polyhedra around the U atoms are edge‐linked monocapped trigonal prisms, the UV atoms are therefore seven‐coordinated. This leads to a U–U distance of 3.8913(6) Å. A weak UV–UV interaction is observed for the dinuclear [U2F12]2? complex and described by the antiferromagnetic exchange Jexp of circa ?29.9 cm?1. The crystalline compound can be easily prepared from SrF2 and β‐UF5 in anhydrous hydrogen fluoride (aHF) at room temperature. It was studied by means of single crystal X‐ray diffraction, IR, Raman and UV/VIS spectroscopy, magnetic measurements, and by molecular as well as by solid‐state quantum chemical calculations. 相似文献
182.
Thissa N. Siriwardena Alice Capecchi Bee‐Ha Gan Dr. Xian Jin Dr. Runze He Dr. Dengwen Wei Lan Ma Dr. Thilo Köhler Prof. Dr. Christian van Delden Dr. Sacha Javor Prof. Dr. Jean‐Louis Reymond 《Angewandte Chemie (International ed. in English)》2018,57(28):8483-8487
We used nearest‐neighbor searches in chemical space to improve the activity of the antimicrobial peptide dendrimer (AMPD) G3KL and identified dendrimer T7 , which has an expanded activity range against Gram‐negative pathogenic bacteria including Klebsiellae pneumoniae, increased serum stability, and promising activity in an in vivo infection model against a multidrug‐resistant strain of Acinetobacter baumannii. Imaging, spectroscopic studies, and a structural model from molecular dynamics simulations suggest that T7 acts through membrane disruption. These experiments provide the first example of using virtual screening in the field of dendrimers and show that dendrimer size does not limit the activity of AMPDs. 相似文献
183.
氮掺杂石墨烯的制备及其在化学储能中的研究进展 总被引:1,自引:0,他引:1
石墨烯独特的二维空间结构使其具有优异的导电性能、力学性能以及超大的比表面积,被认为是颇具潜力的新型储能材料,是目前储能研究的热点之一。 但是石墨烯易团聚、表面光滑且呈惰性而不利于与其它材料的复合,导致其应用受到限制。 石墨烯掺氮可改变其电子结构,增加表面的活性位,从而提高其应用于储能器件时的电化学性能。 本文综述了近几年氮掺杂石墨烯的制备方法以及其在超级电容器、锂离子电池、锂空电池以及锂硫电池等化学储能领域中的应用,指出了目前氮掺杂石墨烯在制备和储能应用中关注的核心问题,并对氮掺杂石墨烯的发展前景进行了展望。 相似文献
184.
Sebastián Martínez Fernando Igoa Ignacio Carrera Gustavo Seoane Nicolás Veiga Andrea S. S. De Camargo 《Journal of Coordination Chemistry》2018,71(6):874-889
AbstractA new mononuclear complex of zinc(II), [Zn(HL)2]?2DMF (H2L = (E)-N′-((E)-(hydroxyimino)butan-2-ylidene)salicyloylhydrazide, DMF = N,N-dimethylformamide), was prepared and characterized. Single-crystal X-ray crystallography revealed a six-coordinate zinc(II) surrounded by nitrogen of the oxime function and oxygen and distal nitrogens of the acylhydrazone group. This entity also exists in solution as demonstrated by 1H-NMR and potentiometric titrations. The computational analysis showed that the molecular orbitals involved in the main electronic transitions of the complex species in solution are centered on the ligand with negligible contribution of the metal ion. The photophysical properties of the complex were evaluated in solution and in the solid state. Luminescence studies showed that the solid has a strong emission at 550 nm with a large Stokes shift with respect to absorption. The solid state fluorescence emission is ascribed to ligand-centered and/or ligand-to-ligand charge transfer transitions, following the DFT results in solution. A comparison with a previously reported mononuclear [Zn(HL)2] allowed the investigation of the influence of DMF molecules in the structural packing and the luminescence properties. 相似文献
185.
R. Udhayasankar B. Karthikeyan A. Balaji 《International Journal of Polymer Analysis and Characterization》2018,23(3):252-259
The current work focuses on the thermal behavior of biocomposites based on cardanol formaldehyde resin (CFR) reinforced with untreated and treated coconut shell particles (CSP). CFR has been synthesized by condensing cardanol with formaldehyde in the presence of NH4OH catalyst (ratio of 1:1.6:0.36). Fabricating biocomposites is performed by compression moulding technique. The CSP with particle size of 50?µm is used in various proportions: 30 and 40?wt%. The CSP is immersed in 5?wt% NaOH solution for 5?h. Fourier transform infrared spectroscopy is used to characterize chemical formation of the new biocomposites. Thermogravimetric analysis and differential thermal analysis are applied to measure the thermal stability of composites. The thermal stability exhibits a slight decrease with particles loading from 30 to 40?wt% against neat CFR. This work gives a path for the possibility of CSP usage in low-value products in composite manufacturing. 相似文献
186.
Goran M. Petrović Marija D. Ilić Vesna P. Stankov-Jovanović Gordana S. Stojanović Snežana Č. Jovanović 《Natural product research》2018,32(3):331-334
Phytochemical analysis by GC and GC/MS of the essential oil samples obtained from fresh shoots and flowers of Saponaria officinalis L. allowed the identification of 96 components in total, comprising 94.7% and 86.0% of the total oils compositions, respectively. Regarding the shoots essential oil, the major of 87 identified volatile compounds were phytol (14.1%), tricosane-6,8-dione (13.4%), patchouli alcohol (7.9%) and tricosane (7.2%), whereas patchouli alcohol (20.0%), heneicosane (11.5%) and tricosane (8.4%) were dominant among the 66 volatiles in the flower oil. Nonterpenoid compounds had the highest contribution in S. officinalis shoots essential oil (53.7%), while in the flower oil, constituents were almost evenly distributed between the oxygenated sesquiterpenoid (41.2%) and nonterpenoid compounds (39.5%). 相似文献
187.
A phytochemical investigation of Ajuga forrestii Diels led to the isolation of 14 compounds, including eight neo-clerodane diterpenes (1–8), two phytoecdysteroids (9, 11), one stigmastane sterol (10) and three iridoid glycosides (12–14). The structures of these compounds were identified by spectroscopic methods and a comparison of their data with those reported in the literature. This is the first report of compounds 1–14 from A. forrestii. The cytotoxic activities of the aqueous extract of A. forrestii and several compounds have been studied and the chemotaxonomic significance of isolated compounds has also been summarised. 相似文献
188.
The phytochemical investigation of chloroform extract from Piper betle var. haldia, Piperaceae, leaves has resulted in the isolation of two new chemical constituents which were identified as 1-n-dodecanyloxy resorcinol (H1) and desmethylenesqualenyl deoxy-cepharadione-A (H4), on the basis of spectroscopic data 1D NMR (1H and 13C) and 2D NMR (1H-1H COSY and HMBC) as well as ESI-MS, FT-IR and HR-ESI-MS analyses. Compounds H1 and H4 showed excellent antioxidant DPPH free radical scavenging activity with IC50 values of 7.14 μg/mL and 8.08 μg/mL compared to ascorbic acid as a standard antioxidant drug with IC50 value of 2.52 μg/mL, respectively. Evaluation of cytotoxic activity against human hepatoma cell line (PLC-PRF-5) showed moderate effect with the GI50 values of 35.12 μg/mL for H1, 31.01 μg/mL for H4, compared to Doxorubicin® as a standard cytotoxic drug with GI50 value of 18.80 μg/mL. 相似文献
189.
Karolina E. Mellor Philip Coish Bryan W. Brooks Evan P. Gallagher Margaret Mills Terrance J. Kavanagh 《Green Chemistry Letters and Reviews》2018,11(2):103-110
Green chemistry can strongly attract students to chemistry. We, therefore, developed a green chemistry educational game that motivates students at the undergraduate and advanced high school levels to consider green chemistry and sustainability concerns as they design a hypothetical, chemical product. The game is intended for incorporation into any chemistry course for majors and non-majors that teaches sustainability and/or the Principles of Green Chemistry at the undergraduate level. The game is free of charge and encourages students to think like professional chemical designers and to develop a chemical product with respect to function and improved human and environmental health. This computer simulation has been assessed by educators and can be seamlessly integrated into an existing curriculum. 相似文献
190.
采用脉冲微波辅助化学还原法制备了钴-聚吡咯-碳(Co-PPy-C)载Pt 催化剂(Pt/Co-PPy-C),其中Pt 的总质量占20%. 利用透射电镜(TEM)、光电子射线能谱分析(XPS)和X射线衍射(XRD)研究了催化剂的结构,用循环伏安(CV)、线性扫描伏安(LSV)等方法考察了其电化学活性及氧还原反应(ORR)动力学特性及耐久性. Pt/Co-PPy-C电催化剂的金属颗粒直径约1.8 nm,略小于商用催化剂Pt/C(JM)颗粒尺寸(约2.5 nm);催化剂在载体上分散均匀,粒径分布范围较窄. Pt/Co-PPy-C的电化学活性比表面积(ECSA)(75.1 m2·g-1)高于商用催化剂的ECSA(51.3 m2·g-1). XPS测试表明,自制催化剂表面的Pt 主要以零价形式存在. 而XRD结果显示,自制催化剂中Pt(111)峰最强,Pt 主要为面心立方晶格. Pt/Co-PPy-C具有与Pt/C(JM)相同的半波电位;在0.9 V下,Pt/Co-PPy-C的比活性(1.21 mA·cm-2)高于商用催化剂的比活性(1.04 mA·cm-2),表现出更好的ORR催化活性.动力学性能测试表明催化剂的ORR反应以四电子路线进行. CV测试1000 圈后,Pt/Co-PPy-C和Pt/C(JM)的ECSA 分别衰减了13.0%和24.0%,可见自制催化剂的耐久性高于商用Pt/C(JM),在质子交换膜燃料电池(PEMFC)领域有一定的应用前景. 相似文献