全文获取类型
收费全文 | 171篇 |
免费 | 16篇 |
国内免费 | 21篇 |
专业分类
化学 | 149篇 |
晶体学 | 1篇 |
力学 | 11篇 |
综合类 | 1篇 |
数学 | 12篇 |
物理学 | 34篇 |
出版年
2023年 | 9篇 |
2022年 | 13篇 |
2021年 | 11篇 |
2020年 | 20篇 |
2019年 | 12篇 |
2018年 | 9篇 |
2017年 | 9篇 |
2016年 | 11篇 |
2015年 | 8篇 |
2014年 | 10篇 |
2013年 | 6篇 |
2012年 | 14篇 |
2011年 | 12篇 |
2010年 | 4篇 |
2009年 | 6篇 |
2008年 | 10篇 |
2007年 | 7篇 |
2006年 | 3篇 |
2005年 | 7篇 |
2004年 | 3篇 |
2003年 | 2篇 |
2002年 | 4篇 |
2001年 | 1篇 |
2000年 | 4篇 |
1999年 | 1篇 |
1991年 | 5篇 |
1989年 | 3篇 |
1988年 | 1篇 |
1986年 | 1篇 |
1976年 | 1篇 |
1957年 | 1篇 |
排序方式: 共有208条查询结果,搜索用时 187 毫秒
161.
By arranging substrates in a “reaction ready” state through noncovalent interactions, supramolecular nanoreactors/catalysts show high selectivity and/or rate acceleration features. Herein, we report the host–guest complexation of 9-(10-)substituted anthracene derivatives (G1–G3) with cucurbit[n]uril (CB[n], n = 8, 10), and the photoreactions of these derivatives in the presence of CB[n] hosts. Both CB[10] and CB[8] showed no obvious effects on the photoreaction of 9,10-disubstituted derivative G1. For G2 and G3, CB[10] operated as either a nanoreactor or catalyst (10%) for the photodimerization of two compounds with high selectivity and high yield. However, although CB[8] formed a 1 : 2 complex with G2, as also observed with CB[10], the photosolvolysis product (9-anthracenemethanol) was obtained quantitatively after photoirradiation of the CB[8]·2G2 complex. This unexpected photosolvolysis was rationalized by a plausible catalytic cycle in which anthracene acts as a photoremovable protecting group (PPG) and the carbonium ion intermediate is stabilized by CB[8].The photodimerization of 9-substituted anthracene derivative was tremendously promoted by a catalytic amount of cucurbit[10]uril (CB[10]) in water. While CB[8] exclusively induced the photosolvolysis of the anthracene derivative. 相似文献
162.
Dr. Chunyang Li Dr. Anne-Doriane Manick Dr. Yuxi Zhao Dr. Fengbo Liu Dr. Bastien Chatelet Roselyne Rosas Prof. Didier Siri Dr. Didier Gigmes Dr. Valerie Monnier Prof. Laurence Charles Dr. Julie Broggi Prof. Simin Liu Prof. Alexandre Martinez Dr. Anthony Kermagoret Dr. David Bardelang 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(64):e202201656
The globular and monocationic guest molecule trimethyl-azaphosphatrane ( AZAP , a protonated Verkade superbase) was shown to form a host:guest 1 : 1 complex with the cucurbit[10]uril (CB[10]) macrocycle in water. Molecular dynamics calculations showed that CB[10] adopts an 8-shape with AZAP occupying the majority of the internal space, CB[10] contracting around AZAP and leaving a significant part of the cavity unoccupied. This residual space was used to co-include planar and monocationic co-guest ( CG ) molecules, affording heteroternary CB[10]⋅ AZAP ⋅ CG complexes potentially opening new perspectives in supramolecular chemistry. 相似文献
163.
We constructed five novel cyclotetramethylene tetranitramine (HMX) derivatives based on the skeleton of HMX ring. The molecules were fully optimized at the B3LYP/6-311G (d) level. We designed isodesmic reactions to calculate their enthalpies of formation. Then, their heats of detonation, detonation velocities, and detonation pressures were calculated using the Kamlet-Jacobs equations on the theoretical densities and enthalpies of formation. Their oxygen balances were computed to estimate whether the title compounds are oxygen-enriched or oxygen-poor. Finally, their impact sensitivity values were evaluated via a simple equation reported in previous studies. In terms of the quantitative standard as high energy density compounds (HEDCs), the potential candidates of HEDCs were selected. 相似文献
164.
将可控链式核裂变技术用于电力生产是原子能利用的重要形式,其中又以水冷热中子反应堆技术为主。水冷堆核电厂数字化仪控系统是核电厂的神经中枢,提高其可靠性,对核安全具有重要意义。为解决核电厂数字化仪控系统实现的备用自投、启动失效等动态行为的可靠性问题,本文研究了化容系统动态故障树分析方法,根据上充控制涉及的控制系统结构和上充泵冷热备用控制逻辑,建立了上充功能失效的动态故障树模型;采用最小割集法和Markov模型进行可靠性定量分析。可靠度分析结果表明,冗余和备用提高了系统的可靠性;重要度分析结果表明,针对系统优化设计,应优先考虑电气开关柜和接线箱,检测维修应优先考虑电气开关柜、过程控制柜。 相似文献
165.
对场景中的物体进行深度估计是无人驾驶领域中的关键问题,红外图像有利于在光线不佳的情况下解决深度估计问题.针对红外图像纹理不清晰与边缘信息不丰富的特点,提出了将注意力机制与图卷积神经网络相结合来解决单目红外图像深度估计问题.首先,在深度估计问题中,图像中每个像素点的深度信息不仅与其周围像素点的深度信息相关,还需考虑更大范... 相似文献
166.
Yang Gao Simin Yang Minwei She Jianhong Nie Yanping Huo Qian Chen Xianwei Li Xiao-Qiang Hu 《Chemical science》2022,13(7):2105
We report a practical route for the synthesis of valuable 3-aryl anthranils from readily available anthranils and simple arenes by using the classical electrophilic aromatic substitution (EAS) strategy. This transformation goes through an electrophilic substitution and rearomatisation sequence by employing Tf2O as an effective activator. A wide range of arenes were compatible in this transformation, delivering various structurally diversified 3-aryl anthranils in good yields and high regioselectivity. In addition, a variety of readily available feedstocks such as olefins, alkenyl triflates, silyl enolethers, carbonyl compounds, thiophenols and thiols could also participate in the reaction to achieve the C3 alkenylation, alkylation and thioetherification of anthranils. Of note, the synthesized 3-aryl anthranils proved to be a highly robust platform to access a series of biologically active compounds, drug derivatives and organic optoelectronic materials.A practical route for the synthesis of valuable 3-aryl anthranils from readily available anthranils and simple arenes has been achieved through an electrophilic substitution and rearomatization sequence by employing Tf2O as an effective activator. 相似文献
167.
168.
Summaryof main observation and conclusion In order to extend the absorption spectrum of polyoxo-titanium clusters into the visible region,two new heterometal-oxo clusters Ti4CuII2CuI2(μ3-O)6(benzoate)10(MeCN)4(PTC-153)and Ti4CuII2CuI2(μ3-O)6(benzoate)8(CH3COO)2(MeCN)4(PTC-154)were success-fully synthesized.Single-crystal X-ray diffraction and X-ray photoelectron spectroscopy studies showed that these two heterometallic Ti4Cu4-oxo clusterspossessed Chinese knot-shape structure and mixed valence Cu^1+/2+ions.UV-visible spectroscopyanalysis demonstrated that the visible light region ab-sorption of PTC-153and PTC-154 could be significantly enhanced by doping copper.Furthermore,their visible-light driven photocurrent responses were studied by using samples of PTC-153and PTC-154as electrode precursors. 相似文献
169.
Cover Picture: From Packed “Sandwich” to “Russian Doll”: Assembly by Charge‐Transfer Interactions in Cucurbit[10]uril (Chem. Eur. J. 49/2016)
下载免费PDF全文
![点击此处可从《Chemistry (Weinheim an der Bergstrasse, Germany)》网站下载免费的PDF全文](/ch/ext_images/free.gif)
170.