Spin polarization effect for Tc2 molecule

Density functional method (DFT) (B3p86) of Gaussian98 has been used to optimize the structure of the Tc_2 molecule. The result shows that the ground state for Tc_2 molecule is an 11-multiple state and its electronic configuration is {}^{11}Σ_g^-, which shows the spin polarization effect of Tc_2 molecule of a transition metal element for the first time. Meanwhile, we have not found any spin pollution because the wavefunction of the ground state does not mingle with wavefunctions of higher energy states. So, that the ground state for Tc_2 molecule is an 11-multiple state is indicative of the spin polarization effect of Tc_2 molecule of a transition metal element: that is, there exist 10 parallel spin electrons. The non-conjugated electron is greatest in number. These electrons occupy different spacious tracks, so that the energy of Tc_2 molecule is minimized. It can be concluded that the effect of parallel spin of the Tc_2 molecule is larger than the effect of the conjugated molecule, which is obviously related to the effect of electron d delocalization. In addition, the Murrell--Sorbie potential functions with the parameters for the ground state {}^{11}Σ_g^- and other states of Tc_2 molecule are derived. Dissociation energy D_e for the ground state of T_{c2} molecule is 2.266eV, equilibrium bond length R_e is 0.2841nm, vibration frequency ω_e is 178.52cm^{-1}. Its force constants f_2, f_3, and f_4 are 0.9200aJ·nm^{-2}, --3.5700aJ·nm^{-3}, 11.2748aJ·nm^{-4} respectively. The other spectroscopic data for the ground state of Tc_2 molecule ω_eχ_e, B_e, α_e are 0.5523cm^{-1}, 0.0426cm^{-1}, 1.6331×10^{-4}cm^{-1} respectively.     

An efficient one‐pot synthesis of novel pyrimidoquinoline derivatives under microwave irradiation without catalyst

A series of pyrimidoquinoline derivatives were synthesized through one‐pot condensation of 2,6‐diaminopyrimidin‐4‐one, aldehyde and cyclic a 1,3‐dicarbonyl compound in glycol under microwave irradiation without catalyst. The protocol in the absence of catalyst has the advantage of good yield (87‐95%), short reaction time (4‐7 min) and an environmentally friendly technique.     

On the degree of convergence of lemniscates in finite connected domains

For an arbitrary bounded closed set E in the complex plane with complement Ω of finite connectivity, we study the degree of convergence of the lemniscates in Ω.     

A novel synthesis of 5-perfluorophenyl 4,5-dihydro-1H-pyrazoles in THF or water

5-Perfluorophenyl 4,5-dihydro-1H-pyrazoles were synthesized from 1,3-dipolar cycloaddition reaction of perfluorobenyl 2,4,6-triisopropylbenzenesulfonylhydrazone and α,β-unsaturated carbonyl compounds or acrylonitrile in THF or water. It was worthy to note that better results were obtained when water was employed as the solvent, which was considered as an effective, economic and environmentally friendly method to synthesize these pyrazole derivatives.     

0.25μm CMOS千兆以太网发送器设计

分析了千兆以太网体系结构,给出了符合IEEE 802.3z标准中1000BASE-X规范的发送器电路结构,并采用TSMC 0.25 μm CMOS 混合信号工艺设计了符合该规范的高速复接电路和锁相环时钟倍频电路.芯片核心电路面积分别为(0.3×0.26)mm2和(0.22×0.12)mm2.工作电压2.5 V时,芯片核心电路功耗分别为120 mW和100 mW.时钟倍频电路的10倍频输出时钟信号频率为1.25 GHz,其偏离中心频率1MHz处的单边带相位噪声仅为-109.7 dBc/Hz.在驱动50 Ω输出负载的条件下,1.25 Gbit/s的高速输出数据信号摆幅可达到410 mV.     

基于嵌入式Linux的远程数据采集系统

以嵌入式微控制器为核心,将传感器网络收集来的数据通过无线电发射机发送到远程接收机,从而实现远程数据采集.系统的优势是充分利用了短波无线链路资源,适合于工作在无人区等场合.以ARM7为控制器,功耗小,性能稳定,维护方便;通信方式采用串口通信,连接线少,实现相对简单.系统设计主要应用嵌入式μCLinux系统设计、无线电发射、调制解调器等方面的知识,文中给出了调制解调器拨号协议、系统原理和软件流程等.     

3G认证和密钥分配协议的形式化分析及改进

介绍了第三代移动通信系统所采用的认证和密钥分配(AKA)协议,网络归属位置寄存器/访问位置寄存器(HLR/VLR)对用户UE(用户设备)的认证过程和用户UE对网络HLR/VLR的认证过程分别采用了两种不同的认证方式,前者采用基于"询问-应答"式的认证过程,后者采用基于"知识证明"式的认证过程.使用BAN形式化逻辑分析方法分别对这两种认证过程进行了分析,指出在假定HLR与VLR之间系统安全的前提下,基于"知识证明"式的认证过程仍然存在安全漏洞.3GPP采取基于顺序号的补充措施;同时,文中指出了另一种改进方案.     

基于西门子楼宇自控系统的中央空调计费系统

介绍了基于西门子楼宇自控系统的空调计费系统的软硬件设计和具体实现.该系统的特点是借助西门子S600系统强大的数据处理和控制能力,采用时间记录和能量测量相结合的方法进行计费,具有实时监测和定时输出报表功能.该系统计量准确、计费合理、安全可靠、性价比高,满足了现代物业管理的需要.     

宏蜂窝模型的传播模型校正研究

详细介绍了 宏蜂窝传播模 型校正的基本操作流程 结果分析及注意事项 对工程 ,人员了解和开展模型校正工作有一定的指导作用 。