全文获取类型
收费全文 | 60篇 |
免费 | 4篇 |
国内免费 | 14篇 |
专业分类
化学 | 75篇 |
物理学 | 3篇 |
出版年
2022年 | 2篇 |
2021年 | 3篇 |
2020年 | 4篇 |
2019年 | 1篇 |
2018年 | 2篇 |
2017年 | 2篇 |
2016年 | 1篇 |
2015年 | 5篇 |
2014年 | 3篇 |
2013年 | 8篇 |
2012年 | 5篇 |
2011年 | 2篇 |
2010年 | 3篇 |
2009年 | 4篇 |
2008年 | 3篇 |
2006年 | 1篇 |
2005年 | 1篇 |
2004年 | 3篇 |
2003年 | 1篇 |
2002年 | 6篇 |
2001年 | 3篇 |
2000年 | 2篇 |
1999年 | 1篇 |
1998年 | 3篇 |
1997年 | 2篇 |
1996年 | 1篇 |
1995年 | 2篇 |
1994年 | 1篇 |
1992年 | 3篇 |
排序方式: 共有78条查询结果,搜索用时 265 毫秒
31.
Mingrui Wei Sheng Wu Fan Li Dongju Zhang Tingting Zhang 《Combustion Theory and Modelling》2017,21(6):1189-1198
Pyrene dimerisation was successfully used to model the beginning of soot nucleation in some simulation models. However, the quantum mechanics (QM) calculations proved that the binding energy of a PAH dimer with three six-member rings was similar to that of a pyrene dimer. Meanwhile, the high concentration of phenanthrene at flame conditions indicated high probability of collisions among them. The small difference of the binding energy and high concentration indicated that PAHs structurally smaller than pyrene also could be involved in soot inception. Hence, binary collisions of phenanthrene were simulated to find out whether phenanthrene dimers can serve as soot primary nuclei or not by using non-equilibrium molecular dynamics (MD). Three temperatures, six collision orientations and 155 initial translational velocities (ITVs) were considered. The results indicated that the number of dimers with lifetime over 10 ps which can serve as soot nuclei decreased from 52 at 1000 K to 17 at 1600 K, and further to 6 at 2400 K, which means that low temperature was more favourable for phenanthrene to form soot nuclei. Meanwhile, no soot nuclei were formed at the high velocity region (HVR), compared to 43 and 9 at low and middle velocity regions (LVR and MVR), respectively, when temperature was 1000 K. Also, no soot nuclei were formed at HVR when the temperature was raised to 1600 K and 2400 K. This indicated that HVR was unfavourable for phenanthrene to form soot nuclei. The results computationally further illustrated that small PAHs such as phenanthrene could serve as soot primary nuclei, since they have similar mole fractions in some flames. This may be useful for future soot simulation models. 相似文献
32.
多氯代菲分子结构和热力学性质的密度泛函理论研究 总被引:3,自引:0,他引:3
采用密度泛函理论方法在B3LYP/6-311G(d, p)水平上对527个多氯代菲分子的几何结构进行了全优化并计算得到它们的热力学性质(等容热容( )、熵(S$)、标准生成焓(ΔfH$)和标准生成Gibbs自由能(ΔfG$)), 研究了这些性质与取代的氯原子数目和位置的关系, 根据各异构体的相对标准生成Gibbs自由能(Δr,fG$)的大小, 得到它们的热力学稳定性顺序. 计算结果表明: 绝大多数多氯代菲分子具有非平面的几何构型, 在多氯代菲分子中存在三种类型的分子内弱相互作用(H…H、C—H…Cl和Cl…Cl相互作用), 随着分子中取代的氯原子数目的增加, 多氯代菲最稳定异构体的ΔfH$和ΔfG$开始时逐渐减小, 然后又快速增加. 具有相同数目氯原子的多氯代菲异构体的ΔfH$和ΔfG$与氯原子的取代位置有很大的关系. 多氯代菲异构体的相对热力学稳定性主要由分子内的离域π键和Cl…Cl核排斥作用的强弱决定. 相似文献
33.
V. A. Bagryansky V. V. Korolev V. A. Tolkatchev N. M. Bazhin 《Journal of Polymer Science.Polymer Physics》1992,30(9):951-958
Decay kinetics of phenanthrene phosphorescence in atactic poly(methyl methacrylate) have been studied at 130–170 K in the presence of dissolved oxygen. The kinetics show anomalous behavior and cannot be described in terms of homogeneous diffusion of oxygen. Analysis of the dependence of the kinetics on oxygen concentration shows that such behavior is well accounted for by a polychromatic model assuming a dispersion of diffusion coefficients due to the inhomogeneity of the polymer structure. Possible errors in determining the diffusion coefficient from the phosphorescence quantum yield on the assumption of homogeneous diffusion are discussed. © 1992 John Wiley & Sons, Inc. 相似文献
34.
Jung Kwon Oh Jun Wu Mitchell A. Winnik Gary P. Craun Jude Rademacher Rajeev Farwaha 《Journal of polymer science. Part A, Polymer chemistry》2002,40(10):1594-1607
This article describes our first experiments for preparing dye‐labeled latex particles by the emulsion copolymerization of a 4/1 (w/w) mixture of vinyl acetate‐butylacrylate (VAc‐BA). We discuss the synthesis of acrylate derivatives of phenanthrene, anthracene, and pyrene [9‐acryloxymethyl phenanthrene ( 7 ), 9‐acryloxymethyl‐10‐methyl anthracene ( 8 ), and 1‐acryloxymethyl pyrene ( 10 )] and an allyl ether derivative of anthracene [9‐allyoxymethyl‐10‐methyl anthracene ( 9 )]. Although the phenanthrene derivative 7 gave latex particles with high monomer conversion and good dye incorporation, the pyrene acrylate and both anthracene comonomers strongly inhibited the free‐radical reaction. To assist our search for a dye that would serve as a useful energy acceptor for phenanthrene and without suppressing VAc‐BA polymerization, we also examined batch emulsion polymerization in the presence of a variety of dye derivatives—substituted anthracenes, acridines, a coumarin, and two benzophenone derivatives. All of the anthracene derivatives, as well as acridine, strongly inhibited monomer polymerization. The coumarin dye 7‐hydroxy‐4‐methyl coumarin ( 22 ) that had only limited solubility allowed more than 90% monomer conversion. Most promising were 2‐hydroxy‐5‐methyl benzophenone ( 23 ) and 4‐N,N‐dimethylamino benzophenone ( 24 ) that at 1 mol % in the monomer mixture permitted virtually quantitative monomer conversion to latex. 4′‐Dimethylamino‐2‐acryloxy‐5‐methyl benzophenone ( 25 ) copolymerized well with the VAc‐BA mixture, yielding latex particles in high yield and with a narrow size distribution. These dyes appear to be useful acceptor dyes for energy‐transfer experiments with phenanthrene. © 2002 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 40: 1594–1607, 2002 相似文献
35.
Martin B. Jones Julie E. Larson 《Journal of polymer science. Part A, Polymer chemistry》1992,30(9):2037-2044
The conversion of naphthalene, anthracene, and phenanthrene to polymeric material via Friedel-Crafts chemistry was investigated. Synthesis of the polymers was accomplished by: (1) self-condensation of the chloromethylated aromatic substrate in the presence of AlCl3 or SnCl4 or (2) treatment with chloromethyl ethyl ether (CMEE) and SnCl4, producing the chloromethylated substrate in situ, followed by self-condensation polymerization. Soluble or insoluble polymers were preferentially produced by varying the stoichiometry, time, or temperature of the reaction. The resulting polymers consisted of the polycyclic aromatic nuclei bridged by methylene groups. The regiochemistry of the polymer linkages was determined through the use of IR, 1H- and 13C-NMR. The polymers showed relatively high thermal and thermo-oxidative stabilities (380–495°C). © 1992 John Wiley & Sons, Inc. 相似文献
36.
《Tetrahedron letters》2003,44(14):2943-2945
1-Nitronaphthalene reacts at high temperature with poor and moderately reactive dienes affording N-naphthylpyrroles while, with the same dienes, 1,3-dinitronaphthalene exhibits the dienophilic character of naphthalenic C3C4 bond producing the corresponding phenanthrenes through a classical Diels-Alder process. 相似文献
37.
Kudelski A 《Talanta》2008,77(1):1-8
In this article interaction of transition metal complexes with DNA and its applications in electrochemical DNA biosensors as hybridization indicator or electroactive marker of DNA are reviewed. Special emphasis has been given to the efforts for the development of new transition metal complexes and their interaction to DNA. DNA and polymers covalently conjugated with transition metal complexes were also reviewed. 相似文献
38.
39.
Global Aromaticity in Macrocyclic Cyclopenta‐Fused Tetraphenanthrenylene Tetraradicaloid and Its Charged Species
下载免费PDF全文
![点击此处可从《Angewandte Chemie (International ed. in English)》网站下载免费的PDF全文](/ch/ext_images/free.gif)
Dr. Xuefeng Lu Dr. Tullimilli Y. Gopalakrishna Dr. Hoa Phan Dr. Tun Seng Herng Dr. Qing Jiang Chunchen Liu Dr. Guangwu Li Prof. Jun Ding Prof. Jishan Wu 《Angewandte Chemie (International ed. in English)》2018,57(40):13052-13056
A stable cyclopenta‐fused tetraphenanthrenylene macrocycle, CPTP‐M , was synthesized, and the structure was confirmed by X‐ray crystallographic analysis. It exhibits a large radical character (number of unpaired electron, NU=3.52) and a small singlet–triplet energy gap (ΔES‐T=?2.8 kcal mol?1 by SQUID). Its backbone contains 60 ([4n]) conjugated π electrons and is globally antiaromatic. NMR measurements and theoretical calculations revealed that its dication/dianion is globally aromatic owing to the existence of [4n?2]/[4n+2] π‐conjugated electrons. Remarkably, the ring‐current map of the tetraanion shows a unique ring‐in‐ring structure, with a diamagnetic outer ring and a paramagnetic inner ring. Accordingly, both the inner‐rim and outer‐rim protons are deshielded in its 1H NMR spectrum. The tetraanion can be regarded as an isoelectronic structure of the known octulene, which shows similar electronic properties. 相似文献
40.