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单核和双核过渡金属羰基化合物及双核过渡金属羰基夹心化合物的理论研究
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作者 彭彬 李前树 《华南师范大学学报(自然科学版)》 CAS 北大核心 2011年第4期10-15,42,共7页
用量子化学理论方法研究了一系列过渡金属羰基化合物及第一长周期双核过渡金属羰基夹心化合物.根据理论研究结果,对一些早期有关过渡金属羰基化合物的实验结论提出了质疑,对一些同族过渡金属元素原子形成的羰基化合物的结构和成键规律... 用量子化学理论方法研究了一系列过渡金属羰基化合物及第一长周期双核过渡金属羰基夹心化合物.根据理论研究结果,对一些早期有关过渡金属羰基化合物的实验结论提出了质疑,对一些同族过渡金属元素原子形成的羰基化合物的结构和成键规律进行了探讨;对第一长周期过渡金属双核羰基夹心化合物进行的理论研究表明,不饱和程度较高的V2(CO)n与其他该类化合物中仅存在金属金属多重键不同,除存在金属金属多重键外,还形成一种特殊的四电子供体羰基. 展开更多
关键词 羰基化合物 金属金属多重键 理论计算研究
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双酚类化合物的生物代谢机理研究进展 被引量:1
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作者 赫淑铭 潘文筱 +3 位作者 刘娴 傅建捷 张爱茜 江桂斌 《环境化学》 CAS CSCD 北大核心 2024年第3期711-721,共11页
以双酚A(bisphenol A,简称BPA)及其替代物为代表的双酚类化合物(bisphenols,简称BPs)在各种环境介质、食品、消费品以及人类和动物体中被广泛检出,表明BPs存在全球性大规模污染趋势.除了BPs自身毒性外,其在生物体内的转化代谢产物可能... 以双酚A(bisphenol A,简称BPA)及其替代物为代表的双酚类化合物(bisphenols,简称BPs)在各种环境介质、食品、消费品以及人类和动物体中被广泛检出,表明BPs存在全球性大规模污染趋势.除了BPs自身毒性外,其在生物体内的转化代谢产物可能具有比母体化合物更复杂的内分泌干扰效应和毒性效应,对于人体生命健康的影响不容小觑.本文就BPs生物代谢的实验和理论计算研究方法及其取得的研究成果等方面进行回顾总结,在分析现有研究存在的问题和不足上对未来的研究重点提出了展望. 展开更多
关键词 双酚类化合物 代谢转化 实验研究 理论计算化学研究
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二—(2—乙基己基)二硫代磷酸和二—(2—乙基己基)磷酸萃取镉的性能和成键情况的研究 被引量:3
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作者 宋玉林 宋魁元 李鸿图 《辽宁大学学报(自然科学版)》 CAS 1987年第3期36-43,共8页
本文报告了二—(2—乙基己基)二硫代磷酸(D_2EHDTPA)在硫酸和盐酸体系中萃取镉的性能,探讨了反萃条件,实验确定了萃合物的组成。以红外光谱和核磁共振谱讨论了苯合物的成键情况。对比D_2EHDTPA和D_2EHPA(二—(2—乙基己基)磷酸)对镉的... 本文报告了二—(2—乙基己基)二硫代磷酸(D_2EHDTPA)在硫酸和盐酸体系中萃取镉的性能,探讨了反萃条件,实验确定了萃合物的组成。以红外光谱和核磁共振谱讨论了苯合物的成键情况。对比D_2EHDTPA和D_2EHPA(二—(2—乙基己基)磷酸)对镉的萃取性能,通过EHM O计算二者与镉形成萃合物的成键参数,说明了两种萃取剂对镉萃取能力异同的原因,得到了与SHAB原理一致的结果。D_2EHPA和D_2EHDTPA是两种结构相似的含磷萃取剂,本文从理论和实验相结合两个方面来比较这两种萃取剂萃取Cd^(2+)的性能的差别,该二种萃取剂对许多金属离子的一般苯取性能曾有过报告,但国内尚未见D_2EHDTPA对镉的萃取性能的研究报告。该萃取剂与镉的成键情况及理论计算研究未见过报告。本文以萃取实验和量化计算相配合的研究方法,说明了两种萃取剂与镉形成萃合物的能力。同时结合SHAB规则进一步讨论了两种萃取剂与Cd(Ⅱ)的键合能力。 展开更多
关键词 萃取性能 成键 萃取能力 萃合物 己基 乙基 理论计算研究 硫代磷酸 量化计算 萃取剂
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2005年智能计算及其应用国际研讨会通知
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《小型微型计算机系统》 CSCD 北大核心 2004年第11期1903-1903,共1页
关键词 2005年 “智能计算理论与应用研究 神经网络 遗传算法 遗传程序设计 基因表达式程序设计
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Maneuvering Target Tracking Algorithm Based on Muti-paramter Sequential Extended Kalman Filter 被引量:2
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作者 JIA Shuyi SUN Weiwei WANG Guohong 《Journal of Donghua University(English Edition)》 EI CAS 2018年第3期207-214,共8页
Based on the information theory,the performance of maneuvering target tracking can be improved by increasing the input information( observation vector).In this paper,the estimations of radial acceleration and radial v... Based on the information theory,the performance of maneuvering target tracking can be improved by increasing the input information( observation vector).In this paper,the estimations of radial acceleration and radial velocity obtained in the signal processing are introduced into the measurement vector by coordinate transformation.In order to solve the problem of high nonlinearity of the radial acceleration,radial velocity and the state vector,a new algorithm of multi-parameter sequential extended Kalman filter( MSEKF) is proposed.The tracking performance of this algorithm is tested and compared with the other tracking algorithms.It is shown that the proposed algorithm outperforms these algorithms in strong and weak maneuvering environments. 展开更多
关键词 information theory maneuvering target extended Kalman filter(EKF) radial acceleration radial velocity
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Development of PC Worker’s Management System in PC Training Room and Office by Using IoT Technology
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作者 Keiichi Abe Yuki Takabayashi Masao Isshiki 《Journal of Electrical Engineering》 2018年第4期221-228,共8页
At present time, there has been a demand for management systems that can survey and monitor a PC (personal computer) practice room, movement of people in an office, situation of utilization of facilities and so on i... At present time, there has been a demand for management systems that can survey and monitor a PC (personal computer) practice room, movement of people in an office, situation of utilization of facilities and so on in real time without causing psychological stress. For example, PC administrators in Japanese national educational institutions must report operation status of PC practice rooms once a year. But, there is currently no system for automatically recording PC operating situations. Therefore, the burden on the PC administrators is big. In this study, we aimed at systems for accurately managing the sitting and work time without psychologically stressing PC users. This time, we propose uniform management systems of sitting and work time using smart tap node and mat sensor node by IoT (Internet of Things) technology. The smart tap was connected to PCs to acquire the operating status of the PCs. In parallel with this smart tap, the mat sensor was used to acquire human presence state. By calculating binary data representing the PC operating status and human presence state from the two sensing data (smart tap and mat sensor) by the proposed technique, we can exactly calculate wasteful power consumption etc. The use of IoT technology makes it unnecessary to use large installation services when introducing our system. Therefore, this our proposal system can be easily installed even by unskilled workers. 展开更多
关键词 PC worker’s management system smart tap node mat sensor node IoT technology sensor network.
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On De Giorgi's conjecture: Recent progress and open problems 被引量:1
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作者 Hardy Chan Juncheng Wei 《Science China Mathematics》 SCIE CSCD 2018年第11期1925-1946,共22页
In 1979,De Giorgi conjectured that the only bounded monotone solutions to the Allen-Cahn equation △u+u-u^3=0 in R^N,are one-dimensional.This conjecture and its connection with minimal surfaces and Toda systems are th... In 1979,De Giorgi conjectured that the only bounded monotone solutions to the Allen-Cahn equation △u+u-u^3=0 in R^N,are one-dimensional.This conjecture and its connection with minimal surfaces and Toda systems are the subject of this survey article. 展开更多
关键词 De Giorgi's conjecture classification of solutions Allen-Cahn equation minimal surfaces Toda systems
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An embedded estimating equation for the additive risk model with biased-sampling data 被引量:1
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作者 Feipeng Zhang Xingqiu Zhao Yong Zhou 《Science China Mathematics》 SCIE CSCD 2018年第8期1495-1518,共24页
This paper presents a novel class of semiparametric estimating functions for the additive model with right-censored data that are obtained from general biased-sampling. The new estimator can be obtained using a weight... This paper presents a novel class of semiparametric estimating functions for the additive model with right-censored data that are obtained from general biased-sampling. The new estimator can be obtained using a weighted estimating equation for the covariate coefficients, by embedding the biased-sampling data into left-truncated and right-censored data. The asymptotic properties(consistency and asymptotic normality) of the proposed estimator are derived via the modern empirical processes theory. Based on the cumulative residual processes, we also propose graphical and numerical methods to assess the adequacy of the additive risk model.The good finite-sample performance of the proposed estimator is demonstrated by simulation studies and two applications of real datasets. 展开更多
关键词 additive risk model biased-sampling data missing covariates estimating equation model checking
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Flow Field and Performance of Cross Flow Fans——Experimental and Theoretical Investigations 被引量:3
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作者 Martin Gabi Simon Dornstetter Toni Klemm 《Journal of Thermal Science》 SCIE EI CAS CSCD 2003年第3期234-238,共5页
Due to the construction and the operating principle the prediction of performance of Cross Flow Fans (CFF) is difficult and the knowledge about the internal flow regime is limited. To investigate the impact of geometr... Due to the construction and the operating principle the prediction of performance of Cross Flow Fans (CFF) is difficult and the knowledge about the internal flow regime is limited. To investigate the impact of geometrical parameters on the performance of CFF, experimental investigations, using Particle Imaging Velocimetry (PIV), and CFD calculations were carried out. Some results of PIV measurements and CFD calculations are presented, which give an impression of the internal flow and confirm the numerical calculations. 展开更多
关键词 FANS cross-flow fans computational fluid dynamics particle imaging velocimetry
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Semipositivity of generic ordinary fibration over a curve
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作者 Yifei Chen Yi Gu 《Science China Mathematics》 SCIE CSCD 2018年第10期1749-1758,共10页
Let f : X → B be a generic ordinary proper fibration over a complete curve in positive characteristics, we prove that the dual of higher direct image sheaf R^1 f_*O_X is nef. As a corollary, we show that f_*ω_(S/B) ... Let f : X → B be a generic ordinary proper fibration over a complete curve in positive characteristics, we prove that the dual of higher direct image sheaf R^1 f_*O_X is nef. As a corollary, we show that f_*ω_(S/B) is nef, if f : S → B is a fibration from a surface to a curve with generic ordinary fibres. 展开更多
关键词 semipositivity FIBRATIONS direct image sheaf
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An adaptive C^0IPG method for the Helmholtz transmission eigenvalue problem
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作者 Hao Li Yidu Yang 《Science China Mathematics》 SCIE CSCD 2018年第8期1519-1542,共24页
The interior penalty methods using C^0 Lagrange elements(C^0 IPG) developed in the recent decade for the fourth order problems are an interesting topic at present. In this paper, we discuss the adaptive proporty of C^... The interior penalty methods using C^0 Lagrange elements(C^0 IPG) developed in the recent decade for the fourth order problems are an interesting topic at present. In this paper, we discuss the adaptive proporty of C^0 IPG method for the Helmholtz transmission eigenvalue problem. We give the a posteriori error indicators for primal and dual eigenfunctions, and prove their reliability and efficiency. We also give the a posteriori error indicator for eigenvalues and design a C^0 IPG adaptive algorithm. Numerical experiments show that this algorithm is efficient and can get the optimal convergence rate. 展开更多
关键词 transmission eigenvalues interior penalty Galerkin method Lagrange elements a posteriori error estimates adaptive algorithm
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