四能级混合共振系统量子干涉现象理论分析

对原子和分子混合共振四能级系统的量子干涉增强效应进行理论分析，在单模强激光场作用下发生碰撞能量转移，使粒子在相应的能级上产生重新布局．并在一定条件下导致缀饰态能级交叠．结论与实验观测一致。     

选择原子测量对光场反聚束效应的影响

采用数值计算方法,研究了初始处于SU(2)相干态的双模腔场与一个Ⅴ型三能级原子共振相互作用系统的光场反聚束效应.讨论了选择原子测量以及两个腔模总光子数、配分参量、耦合系数和原子初态对光场反聚束效应的影响.结果表明:对原子进行态选择测量或原子初始处于低能级,a模的反聚束效应明显地增强;当两个腔模的耦合系数相同并直接对原子进行态选择测量时,光场的反聚束效应不随时间改变;减少两个腔模的总光子数M,光场的反聚束效应明显地增强.     

环己二胺四乙酸分子的从头算研究

运用Gaussian 03程序,采用6-31g基组,对环己二胺四乙酸(Cydta)分子进行了结构优化,并对其稳定性、前沿分子轨道能量和组成、原子静电荷布居等进行了探讨,为Cydta配合物的合成、研究提供理论参考。     

密度泛函方法研究Os3(CO)12的电子结构

用密度泛函方法的NL／LDA优化分子片的几何结构，讨论此簇合物的原子电荷布局规律，为催化活性研究提供理论的依据。     

双模腔中利用循环跃迁的人工原子实现频率转换

在双模腔中,利用循环布局跃迁的人工原子,给出了实现腔模场频率上转换和下转换的方案.其中,腔模和经典场与三能级人工原子的相互作用都是共振耦合.因此,系统的量子动力学操作处于较高的速度进行.从抑制退相干的角度看,这是非常有意义的.结果表明,制备人工原子在某个初态,可以实现腔模频率上转换和下转换操作.最后,简单说明了从腔模场的任意初态可产生双模压缩态.     

YC分子基态的结构与势能曲线

考虑到研究对象的相对论效应和电子相关效应,对于YC双原子分子,对Y采用赝势基组,C原子选用6-311+G(3df)和AUG-cc-PVTZ基组,计算方法使用Becke的交换泛函和三参数混合泛函形式即B3LYP杂化泛函方法,首先对YC双原子分子的最优结构进行了计算,由此得到分子的稳定构型、最低能量和振动频率.基于原子分子反应静力学原理,推导得到YC双原子分子基态的合理离解极限.通过对比以往文献报道的实验和高水平理论计算结果,发现CRENBL ECP/6-311+G(3df)混合基组为对体系进行计算最为合适.因此,就在B3LYP/CRENBL ECP/6-311+G(3df)理论水平进一步对YC双原子分子基态的势能面进行了刚性扫描.基于扫描结果,并采用最小二乘法拟合,得到了10参数的Murrell-Sorbie势能函数曲线.由曲线系数(D_e,a_1,a_2,a_3,a_4)进一步计算得到了二、三、四阶力常数(f_2,f_3,f_4)以及相关光谱数据(B_e,α_e,ω_e,ω_eχ_e,D_e).为原子分子碰撞研究提供了有效的数据支持.     

微腔中原子的布局几率

自从1996年Scully等人首次研究了用超冷原子注入微波激射后,一种全新的诱导辐射Mazer便成了量子光学的研究热点.应用双光子Jaynes-Cummings模型,在相干态下,研究了原子的布局几率.当原子运动从经典区域进入量子区域时,原子的布局几率出现明显的变化.同时又计算了在热原子区域,原子布局的塌崩和恢复现象的恢复周期及超冷原子区域出现的共振反峰的共振时间.     

密度泛函方法研究Os3(CO)10(μ--H)2的电子结构

用密度泛函方法优化分子片的几何结构，讨论Os3(CO)10(μ-H)2簇合物的原子电荷布局规律，为催化活性研究提供理论依据。     

运用终态分析法巧解化学计算题

终态分析法是利用逆向思维方式,以与待求量相关的物质(离子、分子或原子)在变化终态的存在形式为解题的切入点,找出已知量与待求量之间的关系,不考虑中间变化过程的一种快捷有效的解题方法.在一些多步反应或多种混合物的计算中,由于涉及到反应繁多、数据不一或变化过程复杂,解题时如果逐一去分析这些反应或过程,按部就班地进行计算,往往会纠缠不清,导致思维混乱,不但费时费力,而且极易出错,甚至无法解答.如果我们淡化中间过程,关注最终组成,利用守恒关系进行整体分析,就会简化思维,从而快速求解.     

一道关于"可降解塑料PHB合成"的原创题

1原创试题 聚-3-羟基丁酸酯(PHB),被用于制造可降解塑料等.PHB是由许多3-羟基丁酸分子聚合而在.合成聚-3-羟基丁酸酯的途径很多,其中一种途径的副产品少、污染小、原子利用率高,其合成路线如下:     

Student Misapplication of a Gas‐like Model to Explain Particle Movement in Heated Solids: Implications for curriculum and instruction towards students’ creation and revision of accurate explanatory models

Understanding the particulate nature of matter (PNM) is vital for participating in many areas of science. We assessed 11 students’ atomic/molecular‐level explanations of real‐world phenomena after their participation in a modelling‐based PNM unit. All 11 students offered a scientifically acceptable model regarding atomic/molecular behaviour in non‐heated solids. Yet, 10 of 11 students expressed the view that, in response to added heat energy, atoms/molecules in a solid increase in movement to a degree beyond what is scientifically accepted. These students attributed a gas‐like model of atomic/molecular movement to situations involving a heated solid. Of the students who held two conflicting models of atomic/molecular movement in solids, almost all provided justification for doing so, indicating their holding of the conflicting models was unproblematic. These findings can be interpreted to mean that students may drop constraints of certain scientific representations and apply, assess, or revise models when explaining unfamiliar phenomena. In fact, we believe students may develop conflicting causal models as a result of misperceptions they acquire, in part, during classroom instruction regarding atomic/molecular movement. However, our findings may also be interpreted as an incidence of student model development that may later aid their understanding of a more complex model, one that involves substantial sub‐atomic electron movement to account for heat transfer in solids. Whether or not this is the case remains to be seen. Implications for student learning and instruction are discussed.     

较强磁场中氢原子的能级(n=2～7)及其波函数

基于简并微扰论和Mathematica软件平台,发展了一种简单可靠、全自动的计算方法研究磁场中的原子能级结构.考虑自旋磁矩和感生磁矩,计算了处在较强磁场中氢原子n=2~7的能级和波函数.讨论了简并微扰论的适用条件和能级分裂,绘制了概率角分布图和电子云图.数值结果表明:对于较强磁场,本方法是可靠和快捷的;一般情况下,磁场对能级的一级修正可以使简并完全解除(n=2~7),但在一定条件下,会出现新的简并——偶然简并.     

A Student Evaluation of Molecular Modeling in First Year College Chemistry

This three-year study involved an evaluation of molecular modeling by students in first year college chemistry. The molecular modeling program utilized was Spartan (Wavefunction, Inc., Irvine, California) on a UNIX-based platform with Silicon Graphics Indigo series workstations. A treatment group of 129 students visited a computer room four times during the semester for two-hour sessions. They completed exercises on periodic trends in atoms, structure of molecules, electronic structure of molecules such as MO and valence bond theory, and properties of organic molecules. The students were required to complete an evaluation of the molecular modeling computer experience at the end of the semester regarding aspects such as: effectiveness, integration with course content, interest, benefit, and advantages and disadvantages. Also obtained through the evaluation were students' opinions regarding the helpfulness of the molecular modeling computer experience for 3-D visualization of atomic and molecular structure and whether their understanding of atomic and molecular structure was enhanced. The first two years of the study constituted a pilot study and data for this study were obtained in the third year. Though the specifics are not reported here, quantitatively the achievement of the treatment and non-treatment groups was also assessed. There was a significant difference in achievement on the Final Exam of the semester (p = 0.0067) between the treatment and non-treatment groups on multiple choice questions pertaining to concepts of resonance, dipole moment, and atomic/molecular stoichiometry.     

概率的可加性与连续性的推广

将概率的可列可加性和上下连续性推广到某些零概集上,减弱了原来的命题条件,并且证明了推广后得到的三个结果都与可加性公理等价.     

用U（2）代数模型研究分子振动能谱

U（2）代数模型是研究原子分子光谱的一种有效工具,在该模型中用一个U（2）代数描述了分子中键的振动且将分子振动与转动分开讨论．当考虑分子的弯曲振动后,利用U（2）代数中的产生和湮灭算符构造HCP分子中CP犍的哈密顿量,通过拟合实验数据表明U（2）代数模型比其他模型能更好地描述该分子的高激发光谱数据．     

The effects of room design on computer-supported collaborative learning in a multi-touch classroom

While research indicates that technology can be useful for supporting learning and collaboration, there is still relatively little uptake or widespread implementation of these technologies in classrooms. In this paper, we explore one aspect of the development of a multi-touch classroom, looking at two different designs of the classroom environment to explore how classroom layout may influence group interaction and learning. Three classes of students working in groups of four were taught in the traditional forward-facing room condition, while three classes worked in a centered room condition. Our results indicate that while the outcomes on tasks were similar across conditions, groups engaged in more talk (but not more off-task talk) in a centered room layout, than in a traditional forward-facing room. These results suggest that the use of technology in the classroom may be influenced by the location of the technology, both in terms of the learning outcomes and the interaction behaviors of students. The findings highlight the importance of considering the learning environment when designing technology to support learning, and ensuring that integration of technology into formal learning environments is done with attention to how the technology may disrupt, or contribute to, the classroom interaction practices.     

论杂志版式编排的变化调整

以色彩元素和图形元素为主的背景调整,以大小、位置、形态、导向为主的图片调整以及文字调整,都是调整杂志版式编排的有效方法。从细处入手,通过变化调整,可达到杂志整体编排更和谐、更优美的设计效果。     

确定多个同科电子原子态的字母组合法

利用L-S耦合的方法和泡利不相容原理,给出了确定多个同科电子原子态的一种方法,称之为字母组合法,并用若干具体例子加以说明.结果表明,该方法是确定多个同科电子原子态的一种很有效的方法.     

明清时期苏州市镇选址及其演变初探

明清时期苏州古市镇的选址,按照地域分布和布局形态,大致可分为三大区域和五种类型。苏州古市镇的选址、形态及其演变,深受地形、河湖分布、农业生产、交通条件、商贸、手工业和经济社会发展等情况的影响和制约。研究苏州古市镇的选址、布局和演变规律,对当今保护古市镇和建设现代小城镇都具有重要的意义。     

网络课程的网页布局与导航样式对学习影响的眼动实验研究

Web网页是网络课程重要的人机界面,其布局和设计直接影响学习者的学习效果.本文从眼动心理学角度,利用眼动实验研究学习者利用网络课程学习的视觉搜索行为,测量学习者在3种常见的网页布局及其导航样式下学习时的眼动数据,探讨网页布局对网络学习的影响.通过记录注视次数、注视持续时间等6项眼动指标,并结合态度测量,试图揭示学习者学习时的眼动心理生理基本特征,以期找出适宜的网页布局形式和导航样式,为网络课程的设计和开发提出有效建议.实验研究表明：（1）T字型布局有利于学习者进行视觉搜索;（2）国字型布局更有利于学习者对知识的认知加工;（3）学习者进行视觉搜索时兴趣区集中在导航区,进行知识学习时兴趣区集中在主体内容区;（4）学习者在国字型布局下能取得更高的正确率.