美、韩科学家制成世界上首个分子晶体管

美国耶鲁大学2009年12月23日发表新闻公报称，该校及韩国光州科学技术研究院科学家最近合作制成世界上首个分子晶体管，制作分子晶体管的材料是单个苯分子。相关论文发表于12月24日的《自然》杂志。     

Theoretical Study and NBO Analysis of the Decomposition Kinetics of Oxetane, 2-Methyloxetane and 2,2-Dimethyloxetane

A theoretical study of the thermal decomposition kinetics of oxetane (1), 2-methyloxetane (2), and 2,2-dimethyloxetane (3) has been carried out at the B3LYP/6-311+G**, B3PW91/6-311+G**, and MPW1PW91/6-311+G** levels of theory. The MPW1PW91/6-311+G** method was found to give a reasonable good agreement with the experimental kinetics and thermodynamic parameters. The decomposition reaction of compounds 1～3 yields formaldehyde and the corresponding substituted olefin. Based on the optimized ground state geometries using MPW1PW91/6-311+G** method, the natural bond orbital (NBO) analysis of donor-acceptor (bond-antibond) interactions revealed that the stabilization energies associated with the electronic delocalization from σC3-C4 bonding to σ*O1-C2 antibonding orbitals decrease from compounds 1 to 3. The σC3-C4→σO1-C2 resonance energies for compounds 1～3 are 2.63, 2.59 and 2.45 kcal mol-1, respectively. Further, the results showed that the energy gaps between σC3-C4 bonding and σ*O1-C2 antibonding orbitals decrease from compounds 1 to 3. Also, the decomposition process in these compounds are controlled by σ→σ* resonance energies. Moreover, the obtained order of energy barriers could be explained by the number of electron-releasing methyl groups substituted to the Csp3 atom (which is attached to oxygen atom). NBO analysis shows that the occupancies of σCsp3-O bonds decrease for compounds 1～3 as 3<2<1, and those of σCsp3-O bonds increase in the opposite order (3 > 2 > 1). This fact illustrates a comparatively easier thermal decomposition of the sCsp3-O bond in compound 3 compared to compound 2, and in compound 2 compared to compound 1. NBO results indicate that these reactions are occurring through a concerted and asynchronous four-membered cyclic transition state type of mechanism.     

XBRL实施战略：内置法

实施XBRL（可扩展商业报告语言）的方法之一内置法（built－in approach），即XBRL内置于报告流程中。一般而言，内置法要求所使用的合并／报告应用程序支持XBRL分类法。因此，转换成XBRL就成了报告流程的一种自然延伸，而不是从人工转换的Excel电子数据表中输出的又一个与基本系统和数据毫不相关的信息。     

石墨炉原子吸收光谱法测定 北美自然铜矿中的铅

采用石墨炉原子吸收光谱法对北美多个自然铜矿区的55个样品进行了铅含量分析,在制作校准曲线时加入高纯铜溶液以消除基体效应影响,高纯铜及样品加标回收率分别为104.0%和111.0%,表明该方法具有较高的可信度.分析结果表明,北美自然铜中铅含量极低,多数含量低于1μg/g,少数介于1-10μg/g之间.     

On the pitch of dialogue in Chinese Putonghua

In order to improve the naturalness of TTS speech so as to represent the cadence of natural speech, it is necessary to have a study on the pitch of spontaneous speech. Based on the 973 telephone corpus, the pitch ranges and pitch registers of 1084 intonation phrases are analyzed. It is found that intonation phrases can be classified according to their ranges and registers, and this is related to their positions in dialogue exchange. Compared with read speech, the pitch patterns in dialogue are more variable.     

Microwave Magnetic Properties and Natural Resonance of e-Co Nanoparticles

Owing to the novel crystal structure, ε-Co nanoparticles with an average diameter of 12 nm are synthesized and the microwave magnetic properties of the epoxy resin composite with 50voi% ε-Co particles are measured in the frequency range 0.1-7 GHz. The experimental resonance frequency （4.7 GHz） matches well with the values obtained by the theoretical calculation with the Kittel equation and fitting the experimental permeability dispersion curve via the Landan-Lifshitz equation. Hence the resonance peak is attributed to natural resonance mode. This work is believed to be beneficial for further understanding microwave applications of the novel ε-Co nanoparticles.     

再谈配方法求一类二元函数的最值

文[1]、文[2]运用配方法求形如g（x，y）=ax^2＋bxy＋cy^2＋dx＋ey＋f的二元函数最值，配方成两个一次式的平方和加上一个常数的形式，美中不足的是，文[1]、文[2]所举范例配方中的两个一次式均出现了分式或分数，这就加大了配凑系数的难度，不够自然流畅．     

自然循环过冷沸腾流动不稳定性的实验研究

本文以氟里昂作工质，对自然循环过冷沸腾流动不稳定性进行了实验研究．实验过程中发现自然循环系统内可能发生高频脉动和低频脉动二种类型的过冷沸腾流动不稳定性．通过实验研究揭示了这二种类型流动不稳定性的发生机理，证实高频脉动属于声波型脉动，低频脉动属于密度波型脉动．通过实验得出了判断系统稳定性的界限，并使用积分方程无因次分析方法得出了预测密度波型流动不稳定性的经验公式．     

深水S型铺管管道形态及力学分析方法研究

S型铺管是一种效率很高的铺设海底管道的方法,研究深水S型铺设管道形态及力学分析方法对于开发我国南海油气田具有重大意义.本文建立了深水S型铺管中管道形态的大挠度梁微分方程,并且通过数值方法求解得到的结果论证了深水S型铺管中管道悬垂段形态可以用自然悬链线近似,并在接下来的对S型铺管中管道的整体力学特性的有限元分析中,对过弯...     

拓朴绝缘体研究的新进展

美国普林斯顿大学的一个研究组于2010年7月15日在《自然》（Nature466，343～34615 July 2010）杂志上面发表题为《拓扑表面态穿越表面障碍》（ Transmission of topological surface states through surface barriers）的文章．在文章中他们用可靠的实验数据给出了拓扑表面态穿越单晶锑材料原子尺度阶梯状表面障碍的传播规律，为研究拓扑绝缘材料的性质做出了重要的贡献．