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151.
A new embedded 5(3) pair of modified Runge–Kutta–Nyström methods for the numerical solution of the Schrödinger equation is developed in this paper. The asymptotic expressions of the principal local truncation errors for large energies are obtained. We apply the new fifth-order method to the resonance problem, and apply the new embedded 5(3) pair to elastic scattering phase-shift problem. The numerical results show good numerical performance of the new embedded pair and the fifth-order method. 相似文献
152.
This article reports on the synthesis of a novel amphiphilic polyhedral oligomeric silsesquioxane (POSS) end-capped poly(2-(2-methoxyethoxy)ethyl methacrylate)-co-oligo(ethylene glycol) methacrylate) (POSS-P(MEO2MA-co-OEGMA)). These thermoresponsive organic–inorganic hybrid polymers exhibit critical phase transition temperature in water, which can be finely tuned by changing the feed ratio of OEGMA and MEO2MA. The lower critical solution temperature (LCST) of POSS-P(MEO2MA-co-OEGMA) increases from 31 to 59 °C with the increasing of OEGMA content. Dynamic light scattering (DLS) and transmission electron microscopy (TEM) studies show that these polymers can self-assemble into spherical micelles with the thermosensitive block into the corona and the POSS forming the core, and larger aggregates are formed when the temperature values are above their LCSTs. These thermoresponsive polymers POSS-P(MEO2MA-co-OEGMA) with self-assembly behavior and tunable tempetature-responsive property have the potential applications in material science and biotechnology. 相似文献
153.
Dr. Deng Pan Zhengzou Fang Erli Yang Zhenqiang Ning Qing Zhou Kaiyang Chen Yongjun Zheng Prof. Yuanjian Zhang Prof. Yanfei Shen 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(38):16890-16897
The exceptional nature of WO3−x dots has inspired widespread interest, but it is still a significant challenge to synthesize high-quality WO3−x dots without using unstable reactants, expensive equipment, and complex synthetic processes. Herein, the synthesis of ligand-free WO3−x dots is reported that are highly dispersible and rich in oxygen vacancies by a simple but straightforward exfoliation of bulk WS2 and a mild follow-up chemical conversion. Surprisingly, the WO3−x dots emerged as co-reactants for the electrochemiluminescence (ECL) of Ru(bpy)32+ with a comparable ECL efficiency to the well-known Ru(bpy)32+/tripropylamine (TPrA) system. Moreover, compared to TPrA, whose toxicity remains a critical issue of concern, the WO3−x dots were ca. 300-fold less toxic. The potency of WO3−x dots was further explored in the detection of circulating tumor cells (CTCs) with the most competitive limit of detection so far. 相似文献
154.
Dr. Ze-Jun Xu Yan Zong Ya-Nan Qiao Jiao-Zhen Zhang Xuyuan Liu Ming-Zhu Zhu Yuliang Xu Hongbo Zheng Liyuan Fang Dr. Xiao-ning Wang Prof. Hong-Xiang Lou 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(45):20091-20095
A divergent synthetic approach to biogenetically related diterpenoids such as ent-kauranes, ent-trachylobanes, ent-beyerane, and ent-atisane has been developed. The unified synthetic route involves the De Mayo reaction to rapidly generate the bicyclo[3.2.1]-octane moiety of ent-kaurane. The key reactions also include bioinspired nucleophilic cyclopropanation generating the [3.2.1.02,7]-tricyclic core of ent-trachylobane and regioselective cyclopropane fragmentation furnishing ent-beyerane and ent-atisane through the nucleophilic attack and protonation of the cyclopropane ring. This strategy enables the asymmetric total syntheses of six diterpenoids from the commercially available geraniol. 相似文献
155.
Zheng Huayan Narkhede Nilesh Han Linyi Zhang Huacheng Li Zhong 《Research on Chemical Intermediates》2020,46(3):1749-1769
Research on Chemical Intermediates - The reaction steps during methanol synthesis from CO2/H2 are influenced by the type of catalysts such as pure Cu and Zn-decorated Cu. In this study, density... 相似文献
156.
Fu Cen-Feng Zhao Chuanyu Zheng Qijing Li Xingxing Zhao Jin Yang Jinlong 《中国科学:化学(英文版)》2020,63(8):1134-1141
The covalent triazine framework CTF-1 as a member of the two-dimensional covalent organic frameworks(COFs) is a category of novel metal-free photocatalysts for water splitting. The large band gap severely restricts its energy conversion efficiency. By means of the first-principles calculations, we proposed the decoration of CTF-1 by anchoring halogen atoms onto benzene moieties for improving the solar-to-hydrogen(STH) efficiency. The electronic structures reveal that the halogen substitution successfully decreases the band gap of CTF-1. Meanwhile, the calculated free energy changes along the reaction pathway indicate that all these COFs can spontaneously drive overall water splitting under light irradiation in a specific acid-base environment. The time-dependent ab initio non-adiabatic molecular dynamics simulations suggest that the electron-hole recombination periods of these COFs fall in a few to tens of nanoseconds. Excitingly, CTF-1 modified by linking six iodine atoms onto the benzene ring in the para-position(CTF-1-6I) shows a quite low band gap of 2.81 eV, indicating that it is a visible-light driven COF for overall photocatalytic water splitting. Correspondingly, CTF-1-6I also exhibits an extraordinarily promising STH efficiency of 3.70%, which is an order magnitude higher than that of the pristine CTF-1. 相似文献
157.
Feng Zhanxia Chang Zongyu Deng Chao Zhao Lin Chen Jia Zhang Jiakun Zheng Zhongqiang 《Nonlinear dynamics》2022,108(3):2007-2022
Nonlinear Dynamics - Wave glider is an unmanned surface vehicle that can directly convert wave energy into forward propulsion and fulfill long-term marine monitoring. A previous study suggested... 相似文献
158.
Li Min Tan Zheng Li Xiaoyan 《电子科学学刊(英文版)》2006,23(3):449-451
A new region feature which emphasized the salience of target region and its neighbors is proposed. In region segmentation-based multisensor image fusion scheme, the presented feature can be extracted from each segmented region to determine the fusion weight. Experimental results demonstrate that the proposed feature has extensive application scope and it provides much more information for each region. It can not only be used in image fusion but also be used in other image processing applications. 相似文献
159.
本文详细介绍了技术质量部对用户厂家反映我公司25FS管莫尔条纹的问题进行的深入探究,发现其产生的三大主要物理原因,并作了适当的数学说明,并提出了相应的对策. 相似文献
160.