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π-配合物成键模型三维动画教学课件的设计与制作 被引量:1
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作者 冯小军 王明召 +1 位作者 朱文祥 王丽华 《中国教育技术装备》 2008年第16期155-156,共2页
以蔡斯盐为例,介绍笔者在中级无机化学课程的教学中,使用3Ds Max软件制作π-配合物成键模型三维动画教学课件的原则和方法。
关键词 π-配合物 成键模型 3Ds MAX 课件制作
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Yield Modeling of Rectangular Defect Outline 被引量:1
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作者 王俊平 郝跃 《Journal of Semiconductors》 EI CAS CSCD 北大核心 2005年第8期1514-1518,共5页
In integrated circuits, the defects associated with photolithography are assumed to be in the shape of circular discs in order to perform the estimation of yield and fault analysis. However,real defects exhibit a grea... In integrated circuits, the defects associated with photolithography are assumed to be in the shape of circular discs in order to perform the estimation of yield and fault analysis. However,real defects exhibit a great variety of shapes. In this paper,a novel yield model is presented and the critical area model of short circuit is correspondingly provided. In comparison with the circular model corrently available, the new model takes the similarity shape to an original defect, the two-dimensional distributional characteristic of defects, the feature of a layout routing and the character of yield estimation into account. As for the aspect of prediction of yield, the experimental results show that the new model may predict the yield caused by real defects more accurately than the circular model does. It is significant that the yield is accurately estimated and improved using the proposed model. 展开更多
关键词 real defect rectangular defect model critical area yield modeling
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二氧化氮分子中的离域π键是π_4~3而不是π_3~3
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作者 管仕斌 《衡阳师范学院学报》 1992年第3期17-21,共5页
本文根据实验事实,用杂化轨道理论定性地讨论了二氧化氮分子的结构,认为此分子的中心原子 N 采取 sp^2杂化,其中一个杂化轨道上填有氮的一个单电子而不是孤对电子,从而指出此分子中的离域π键是π_3~4而不是π_3~3。本文还根据新提出的... 本文根据实验事实,用杂化轨道理论定性地讨论了二氧化氮分子的结构,认为此分子的中心原子 N 采取 sp^2杂化,其中一个杂化轨道上填有氮的一个单电子而不是孤对电子,从而指出此分子中的离域π键是π_3~4而不是π_3~3。本文还根据新提出的成键模型很好地解释了二氧化碳分子 NO_2在得失一个电子而成为亚硝酸根离子 NO_2^-和硝基离子 NO_2^+时的键角和键长的变化。 展开更多
关键词 二氧化氮分子 NO2 亚硝酸根离子 NO2- 硝基离子 NO2+ 杂化轨道 离域Π键 成键模型 单电子 孤对电子
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Prediction of structural and electronic properties of Cl2 adsorbed on TiO2(100)surface with C or CO in fluidized chlorination process:A first-principles study 被引量:3
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作者 YANG Fan WEN Liang-ying +5 位作者 PENG Qin ZHAO Yan XU Jian HU Mei-long ZHANG Sheng-fu YANG Zhong-qing 《Journal of Central South University》 SCIE EI CAS CSCD 2021年第1期29-38,共10页
Based on the first-principles calculations of density functional theory,co-adsorption models of C or CO with Cl2 on rutile TiO2(100)surface were established.The adsorption structures and electronic properties during c... Based on the first-principles calculations of density functional theory,co-adsorption models of C or CO with Cl2 on rutile TiO2(100)surface were established.The adsorption structures and electronic properties during chlorination process were predicted.Then,the adsorption energy,charge density,electron density difference and density of state of the adsorption structures were calculated and analyzed.The stabilities of the adsorption structures and the charge distributions between atoms were studied.It was found that both C and CO could promote the adsorption reactions of Cl2 on TiO2(100)surface,and C was more favorable to the adsorption process.The results show that the adsorption process of Cl2 on TiO2(100)surface was physisorption,and the co-adsorption processes of C or CO with Cl2 on TiO2(100)surface were chemisorptions. 展开更多
关键词 FIRST-PRINCIPLES co-adsorption model titanium dioxide BONDING
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