摘要：Electronic circular dichroism(ECD)spectrum is an important tool for as-sessing molecular ***-al methods,like linear response time-dependent density functional theory(LR-TDDFT),predict ECD spectra well for small or medium-sized molecules,but struggle with large sys-tems due to high computational costs,making it a significant challenge to ac-curately and efficiently predict the ECD properties of complex *** the framework of the generalized energy-based fragmentation(GEBF)method for localized excited states(ESs)calculation,we propose a combination algorithm for calculating rotatory strengths of ESs in condensed phase *** algorithm estimates the rotatory strength of the total system by calculating and combin-ing the transition electric and magnetic dipole moments of *** have used the GEBF method to calculate the ECD properties of chiral drug molecule derivatives,green fluo-rescent protein,and cyclodextrin derivatives,and compared their results with traditional methods or experimental *** results show that this method can efficiently and accu-rately predict the ECD spectra of these ***,the GEBF method for ECD spectra demonstrates great potential in the chiral analysis of complex systems and chiral material design,promising to become a powerful theoretical tool in chiral chemistry.

摘要：根据水下结构混凝土裂缝的饱水特征,设计一种高性能注浆修补材料。以流动性和水下抗分散性为首要设计指标,调整各组成材料之间的匹配关系,选择3组性能较好的注浆料进行对比试验,探讨其各方面的性能。各原材料之间的配合关系和水灰比的变化,都会对注浆料的流动性、凝结时间、黏度和强度等性能产生显著影响。所设计的注浆料性能良好,且对母体材料的裂缝基面有良好的粘结性能,可用于水下混凝土结构裂缝的修补。

摘要：提出了一种基于FPGA动态局部重构技术的无线传感器网络节点设计方案,通过FPGA高效的计算能力来提高节点的处理能力,同时采用动态局部重构技术进行功耗控制。根据所提方案进行了硬件平台的设计,并在此平台上对可重构的流程及实现方法进行了验证。实验结果表明,该方案能够实现无线传感器网络节点的部分可重构,在减小功耗的同时具有较强的运算能力。