全文获取类型
收费全文 | 7521篇 |
免费 | 1145篇 |
国内免费 | 817篇 |
专业分类
化学 | 4896篇 |
晶体学 | 61篇 |
力学 | 399篇 |
综合类 | 68篇 |
数学 | 1068篇 |
物理学 | 2991篇 |
出版年
2024年 | 28篇 |
2023年 | 143篇 |
2022年 | 233篇 |
2021年 | 277篇 |
2020年 | 275篇 |
2019年 | 246篇 |
2018年 | 227篇 |
2017年 | 216篇 |
2016年 | 358篇 |
2015年 | 313篇 |
2014年 | 410篇 |
2013年 | 489篇 |
2012年 | 614篇 |
2011年 | 679篇 |
2010年 | 445篇 |
2009年 | 434篇 |
2008年 | 464篇 |
2007年 | 435篇 |
2006年 | 423篇 |
2005年 | 369篇 |
2004年 | 246篇 |
2003年 | 218篇 |
2002年 | 237篇 |
2001年 | 184篇 |
2000年 | 182篇 |
1999年 | 217篇 |
1998年 | 189篇 |
1997年 | 154篇 |
1996年 | 164篇 |
1995年 | 112篇 |
1994年 | 81篇 |
1993年 | 69篇 |
1992年 | 60篇 |
1991年 | 71篇 |
1990年 | 43篇 |
1989年 | 41篇 |
1988年 | 30篇 |
1987年 | 20篇 |
1986年 | 29篇 |
1985年 | 21篇 |
1984年 | 7篇 |
1983年 | 8篇 |
1982年 | 5篇 |
1981年 | 7篇 |
1980年 | 1篇 |
1979年 | 2篇 |
1978年 | 4篇 |
1977年 | 1篇 |
1976年 | 1篇 |
1957年 | 1篇 |
排序方式: 共有9483条查询结果,搜索用时 0 毫秒
41.
Ye Xu Dr. Huifeng Yao Lijiao Ma Ling Hong Jiayao Li Qing Liao Yunfei Zu Jingwen Wang Mengyuan Gao Prof. Long Ye Prof. Jianhui Hou 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(23):9089-9095
Decreasing the energy loss is one of the most feasible ways to improve the efficiencies of organic photovoltaic (OPV) cells. Recent studies have suggested that non-radiative energy loss ( ) is the dominant factor that hinders further improvements in state-of-the-art OPV cells. However, there is no rational molecular design strategy for OPV materials with suppressed . Herein, taking molecular surface electrostatic potential (ESP) as a quantitative parameter, we establish a general relationship between chemical structure and intermolecular interactions. The results reveal that increasing the ESP difference between donor and acceptor will enhance the intermolecular interaction. In the OPV cells, the enhanced intermolecular interaction will increase the charge-transfer (CT) state ratio in its hybridization with the local exciton state to facilitate charge generation, but simultaneously result in a larger . These results suggest that finely tuning the ESP of OPV materials is a feasible method to further improve the efficiencies of OPV cells. 相似文献
42.
Y2O3和CeO2复合掺杂ZrO2纳米晶的制备与表征 总被引:2,自引:0,他引:2
以ZrOCl2.8H2O,Y2O3,Ce(NO3)3.5.5H2O为原料,NH3.H2O作沉淀剂,少量表面活性剂PE作分散剂,采用反向共沉淀-喷雾干燥法,结合物理、化学分散技术,成功地制备了Y2O3,CeO2复合掺杂ZrO2纳米粉末。通过DSC-TG,XRD,XPS,BET和SEM等方法对所制得粉末进行了表征。结果表明:以Ce0.1Y0.1Zr0.8O1.95化学计量比制备的多元氢氧化物胶体经过喷雾干燥处理后,在500℃基本完成水合氧化物的分解,577℃附近完成由非晶相向立方相的转变;经过580-1000℃煅烧后,CeO2和Y2O3已经完全固溶到ZrO2中,形成类质同相体,该粉末系列均属于立方相萤石结构;掺杂进入ZrO2晶格中的Ce呈+4价形式存在;比表面积由22.0 m^2.g^-1(580℃煅烧)减至4.97 m^2.g^-1(1000℃煅烧);SEM结果显示800℃煅烧的该粉末颗粒尺寸分布均匀,多呈类球状,且粒径在50-80 nm。 相似文献
43.
The adsorption of (R)- and (S)-2-phenylpropionamide (PPA, C(9)H(11)ON) molecules on a Cu(111) surface has been investigated using the density functional method with supercell models. The adsorption orientations of both (R)- and (S)-PPA molecules on the surface are the same: the phenyl rings are approximately parallel to the Cu(111) surface and positioned in the hollow sites, the amino and methyl groups occupy two-bridge sites, and the carbonyl occupies the top site. After the adsorption, the bond lengths in the two enantiomers are almost unchanged, but the changes for two dihedral angles show differences, especially for (R)-PPA molecule. The first angles between the (N,C9,C7) plane and the (C9,C7,C6) plane are 19.4 and 0.7 degrees for (R)- and (S)-PPA molecules, respectively, and the second angles between the (C8,C7,C6) plane and the (C7,C6,C5) plane are 74.8 and 0.4 degrees for (R)- and (S)-PPA molecules, respectively. The adsorption energies of (R)- and (S)-PPA molecules are calculated to be -34 and -26 kJ mol(-1), respectively. The simulated scanning tunneling microscopy (STM) images of (R)- and (S)-PPA molecules on the Cu(111) surface display different features and are coincident with the experimental ones. The interaction between the adsorption molecule and the metal surface is found to be responsible for the discrimination of (R)- and (S)-PPA molecules on the surface. 相似文献
44.
Compasses are called rusty, if one can draw only the unit circle with them. We prove that from two points A and B, with only rusty compasses, one can draw the points of k-section of AB, and all the vertices of a regular n-gon which has a side AB, where k is any integer greater than 1, and n=3, 4, 5, 6, 8, 12, 17, 257, ..., etc. Generally, let A be (0, 0) and let B be (, 0), then one can draw all the points (x, y) where x and y are any elements in some regular 2
m
-extension of the rational field, for m=1, 2, 3, ... 相似文献
45.
Background Pillar[n]arene(PA[n])contains a symmetrical structures,where para-bridge connection between the units looks like a column-like or pillar shape and polygonal structure from side and top views,respectively.The attached groups to the PA[n]are pointing towards the opposite directions along the columnar axis. 相似文献
46.
An electrochemical synthesis of oxazol‐2‐ones and imidazol‐2‐ones has been developed via 5‐exo‐dig cyclization of propargylic carbamates‐ and ureas‐derived amidyl radicals. The electrosynthesis relies on the dual function of 2,2,6,6‐tetramethylpiperidin‐ 1‐yl)oxyl (TEMPO) as a redox mediator for amidyl radical formation and an oxygen atom donor. The reactions are conducted under mild conditions using a simple setup and provide convenient access to functionalized oxazol‐2‐ones and imidazol‐2‐ones from readily available materials. 相似文献
47.
6MAP is a fluorescent analogue of adenine that undergoes Watson-Crick base pairing and base stacking in double-stranded DNA. The one-photon absorption spectrum of 6MAP is characterized by a maximum around 330 nm with moderate quantum yield fluorescence centered at about 420 nm. To take advantage of this probe for confocal and single-molecule microscopy, it would be advantageous to be able to excite the analogue via two photons. We report the first determination of the two-photon excitation cross section and spectrum for 6MAP from 614 to 700 nm. The power dependence of the fluorescence indicates that emission results from the absorption of two photons. The one-photon and two-photon emission line shapes are identical within experimental error. A study of the concentration dependence of the fluorescence yield for one-photon excitation shows no measurable quenching up to about 5 microM. The maximum in the two-photon excitation spectrum gives a two-photon cross section, delta(TPE), of 3.4 +/- 0.1 Goeppert-Mayer (G.M.) at 659 nm, which correlates well with the one-photon absorption maximum. This compares quite favorably with cross sections of various naturally fluorescent biological molecules such as flavins and nicotiamide. In addition, we have also obtained the two-photon-induced fluorescence emission spectrum of quinine sulfate. It is approximately the same as that for one-photon excitation, suggesting that two-photon excitation of quinine sulfate may be used for calibration purposes. 相似文献
48.
49.
Aiming at classifying the polarities over aspects, aspect-based sentiment analysis (ABSA) is a fine-grained task of sentiment analysis. The vector representations of current models are generally constrained to real values. Based on mathematical formulations of quantum theory, quantum language models have drawn increasing attention. Words in such models can be projected as physical particles in quantum systems, and naturally represented by representation-rich complex-valued vectors in a Hilbert Space, rather than real-valued ones. In this paper, the Hilbert Space representation for ABSA models is investigated and the complexification of three strong real-valued baselines are constructed. Experimental results demonstrate the effectiveness of complexification and the outperformance of our complex-valued models, illustrating that the complex-valued embedding can carry additional information beyond the real embedding. Especially, a complex-valued RoBERTa model outperforms or approaches the previous state-of-the-art on three standard benchmarking datasets. 相似文献
50.
Mingfei Ji Zongtao Chai Jie Chen Gang Li Qiang Li Miao Li Yelei Ding Shaoyong Lu Guanqun Ju Jianquan Hou 《Molecules (Basel, Switzerland)》2022,27(13)
Small ubiquitin-related modifier (SUMO)-specific protease 1 (SENP1) is a cysteine protease that catalyzes the cleavage of the C-terminus of SUMO1 for the processing of SUMO precursors and deSUMOylation of target proteins. SENP1 is considered to be a promising target for the treatment of hepatocellular carcinoma (HCC) and prostate cancer. SENP1 Gln597 is located at the unstructured loop connecting the helices α4 to α5. The Q597A mutation of SENP1 allosterically disrupts the hydrolytic reaction of SUMO1 through an unknown mechanism. Here, extensive multiple replicates of microsecond molecular dynamics (MD) simulations, coupled with principal component analysis, dynamic cross-correlation analysis, community network analysis, and binding free energy calculations, were performed to elucidate the detailed mechanism. Our MD simulations showed that the Q597A mutation induced marked dynamic conformational changes in SENP1, especially in the unstructured loop connecting the helices α4 to α5 which the mutation site occupies. Moreover, the Q597A mutation caused conformational changes to catalytic Cys603 and His533 at the active site, which might impair the catalytic activity of SENP1 in processing SUMO1. Moreover, binding free energy calculations revealed that the Q597A mutation had a minor effect on the binding affinity of SUMO1 to SENP1. Together, these results may broaden our understanding of the allosteric modulation of the SENP1−SUMO1 complex. 相似文献