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排序方式: 共有1774条查询结果,搜索用时 15 毫秒
1.
Paired single residue‐transposed Lys‐N and Lys‐C digestions for label‐free identification of N‐terminal and C‐terminal MS/MS peptide product ions: ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry and tandem mass spectrometry for peptide de novo sequencing 下载免费PDF全文
2.
Alkynes cycloaddition reactions are powerful tools for constructing cyclic molecules with optimal atom efficiency, but these reactions cannot proceed at ambient temperature without transition-metal catalysts. In this work, a heterobimetallic complex featuring an Nb–Fe triple bond, Nb(iPrNPMe2)3Fe–PMe3, has been evaluated as the potential catalyst for acetylene cycloaddition, using density functional theory. The calculated results show that the singlet-state (i.e. ground-state) Nb(iPrNPMe2)3Fe–PMe3 can be applied to benzene synthesis, but is not suitable for cyclobutadiene. Benzene can be obtained easily at room temperature and is the unique product on the singlet potential surface. The irradiation of infrared-red light can drive the excitation of singlet Nb(iPrNPMe2)3Fe–PMe3 to its triplet state. Both benzene and cyclobutadiene can be formed on the triplet reaction potential surface due to their low energy barriers. Therefore, Nb(iPrNPMe2)3Fe–PMe3 is a potential high reactivity heterobimetallic catalyst for the cyclotrimerization of alkynes. In the reaction process, the catalytic active site of Nb(iPrNPMe2)3Fe–PMe3 moves from niobium to iron. 相似文献
3.
Two novel 2′-hydroxychalcone derivatives (i.e., M1 and M2) are explored in this work. We mainly focus on investigating the effects of photoexcitation on hydrogen bonds and on the excited-state intramolecular proton transfer (ESIPT) process. On the basis of calculations of electrostatic potential surface and intramolecular interactions, we verify the formation of hydrogen bond O1 H2···O3 in both S0 and S1 states. Exploring the ultraviolet–visible spectra in the liquid phase, our simulated results reappear in the experimental phenomenon. Analyzing molecular geometry and infrared stretching vibrational spectra, we confirm O1 H2···O3 is strengthened for both M1 and M2 in the S1 state. We further confirm that charge redistribution facilitates ESIPT tendency. Constructing potential energy curves, we find the ultrafast ESIPT behavior for M1, which is because of the deficiency of side hydroxyl moiety comparing with M2. This work makes a reasonable affiliation of the ESIPT mechanism for M1 and M2. We wish this paper could facilitate understanding these two novel systems and promote their applications. 相似文献
4.
5.
GAO Xiaoyan CAI Xiao CAO Zeng CUI Chenghe 《核工业西南物理研究院年报(英文版)》2004,(1):54-56
HL-2A is the first divertor tokamak in China. The vacuum system is one of the important parts of the HL-2A tokamak, which has to be work well during the physics campaign in 2004. As the tokamak machine is separated from the operation staff during discharges, to guarantee the safe and reliable operation of the vacuum system, it is necessary to watch the vacuum system outside the machine hall with an automatic monitoring system. The paper describes the design and manufacture of the monitoring system. 相似文献
6.
The vacuum system of today's tokamak devices is designed to meet the operational requirements of the experiments. The operation can be divided into five modes, (1) pumping down and leak detecting of the vacuum vessel, (2) baking, (3) plasma-facing component (PFC) conditioning, (4)evacuating and controlling of the particles at plasma edge, (5) plasma discharge experiments. 相似文献
7.
Fe-doped TiO2 powder was prepared by high-energy ball milling, using TiO2 Degussa P-25 and α-Fe powders as the starting materials. The structure and magnetic properties of the Fe-doped TiO2 powder were studied by X-ray diffraction, 57Fe Mossbauer spectroscopy and vibrating sample magnetometer. The Reitveld refinement of XRD revealed that ball milling not only triggered incorporation of Fe in TiO2 lattice but also induced the phase transformation from anatase to rutile in TiO2 and consequently the milled Fe-doped TiO2 powder contained only rutile.57Fe Mössbauer effect measure showed that Fe atoms existed in Fe2+ and Fe3+ state, which were assigned to the solid solution FexTi1−xO2. The magnetization measurements indicated that the milled Fe-doped TiO2 powder was ferromagnetic above room temperature. The ferromagnetism in our milled Fe-doped TiO2 powder seemingly does not come from Fe and iron oxides particles/clusters but from the Fe-doped TiO2 powder matrices. 相似文献
8.
在研究大量实验曲线的基础上,指出势阱所有能级均有一定的宽度,电子或空穴在各能级中出现的概率符合正态分布,从理论上分析了I类超晶格和双势垒单势阱的发光光谱与吸收光谱·解释了GaAs/Ga1-xAlxAs多量子阱和超晶格吸收光谱吸收边及量子阱变窄时各吸收峰的“蓝移现象”及GaAs/Ga1-xAlxAs双势垒单量子阱样品的电流—电压特性曲线及电导—电压特性曲线的特征和出现的“负阻效应”· 相似文献
9.
The He1 photoelectron (PE) spectra of both 2(5H) furanone and itstrans-chair-dimeric-compound (t-c-DFN) are reported. The assignment of the PES bands is made on the basis of band shapes, the PES results of the molecules
which have the similar atomic groups, and the restricted Hartree-Fock (RHF) calculations for the molecules studied. From the
results of both PES experimental and theoretical calculations, it is proved that the ionization potential (IPS) of the HOMO
for the dimeric-compound is lower than that of the HOMO for the monomer. And the total energy computed for thet-c-DFN is the lowest in the four possible configurations of dimeric-compounds of 2(5H) furanone. Therefore the synthesis oft-c-DFN is also the easiest.
Project supported by the National Natural Science Foundation of China. 相似文献
10.
1 问题的提出 解决物理问题是一种创造性的思维活动.在解决物理问题的一般思维过程中,探求解法的核心是思维策略的选择和运用.当我们面临物理问题时,通常总是通过分析理解物理问题,抓住问题的特征进行广泛的联想、检索和回忆储存的信息,凭借已有的知识和经验,做 相似文献