某些离解能、电子亲合能等的G2计算与评价

PoPle及其合作者创立的Gaussian再简称GZ）理论［‘－’］，以其相对可靠的化学精度和相应较小的计算量已经引起了实验和理论化学家们的广泛关注问．p。ple等人在他们的GZ文章中强调了GZ的理论计算结果在研究离解能等化学问题中与精确实验数据之间的偏差普遍不大于全8．狄J规厂‘．我们近期的研究表明＊’1，＊2和优（＊则在计算一般化学反应能量中，绝大多数情况下，分别都能保证结果与实验偏差在全8．4和士13kJ·mol‘以内．近年来，已有大量的研究工作表明，GZ的理论结果已广泛用于未知实验数据的预测、已有实验数据的评价和修正等…     

Theoretical Study of the Low-Lying Excited States of Butoxy Radicals and Non-Radiative Decay Routes

The potential energy surfaces for the butoxy radical dissociation into R·＋O on the six low-lying electronic states have been determined with the combined CASSCF and MR-CI methods. The isomerization reactions between the different conformers of 1- and 2-butoxy radicals at the X and B states have been also investigated with the MP2, B3LYP, and CASSCF methods. The non-radiative decay mechanisms of butoxy radicals at the B state have been characterized with the computed potential energy surfaces and intersections. Supported by recent LIF experimental results, it was predicted that the t-butoxy radical would predissociate via the B/C intersection. As to 1- and 2-butoxy radicals, the relative energies of the transition states for the isomerization reactions between conformers at the B state are much lower than those of the B/C intersections, resulting in the predominance of the isomerization in the decay of the B state for 1- and 2-butoxy radicals.     

改进的微波辅助无溶剂法提取薄荷和陈皮中的挥发油组分

An improved solvent free microwave extraction, in which a kind of microwave absorption medium （carbonyl iron powder） was used, was applied to the extraction of essential oil from dried menthol mint and orange peel without addition of any solvent and pretreatment. It took much less time of extraction （30 min） than microwave-assisted hydrodistillation （90 min） and conventional hydrodistillation （180 min）. The kinds of chemical compositions in essential oil extracted by different methods were almost the same and such improved solvent free microwave extraction can be a feasible way in extraction of essential oil from dried plant materials.     

自由微观粒子相对论

给出自由微观粒子的时空变换理论和自由微观粒子的相对论能量表示.     

半导体所在GaAs纳米线结构相变的研究方面取得重要成果

作为传统的Ⅲ-V族半导体,GaAs体材料的稳定相是闪锌矿结构。但是当进入到纳米尺度时,由于表面积相对增加,又由于纤锌矿结构的表面能较低,使得GaAs纳米线上容易出现纤锌矿结构,互相竞争的结果往往是两相共存,还夹着很多平面缺陷(planar defect)。因此如何得到纯闪锌矿或者纯纤锌矿结构的     

FREE VIBRATION ANALYSIS OF LATTICE SANDWICH BEAMS UNDER SEVERAL TYPICAL BOUNDARY CONDITIONS

Free vibration problems of lattice sandwich beams under several typical boundary conditions are investigated in the present paper. The lattice sandwich beam is transformed to an equivalent homogeneous three-layered sandwich beam. Unlike the traditional analytical model in which the rotation angles of the face sheets and the core are assumed the same, different rotation angles are considered in this paper to characterize the real response of sandwich beams. The analytical solutions of the natural frequencies for several typical boundary conditions are obtained. The effects of material properties and geometric parameters on the natural frequencies are also investigated.     

可转包的两机自由作业排序问题(英文)

本文研究两机器自由作业问题,每工件恰有两个操作,除本身两台机器用于加工外,制造商可以将部分工件转包给承包商加工.该承包商有一台机器,可以加工全部操作。一旦承担转包任务,制造商需要支付转包费用给承包商,该费用与承包商机器单位时间价格有关.制造商需要确定转包工件集及未转包工件的排序时间表,使得转包费用与时间表的加工总长最小.本文证明该问题是NP困难的,设计动态规划算法,并讨论承包商机器时间的定价方案.     

第十五届全国光学测试学术交流会第一轮征文通知

正受中国光学学会委托,中国光学学会光学测试专业委员会订于2014年10月下旬在江西南昌召开第十五届全国光学测试学术交流会,本届会议由南昌航空大学承办。本届年会适逢"十二五"项目实施的关键阶段,将特邀院士与国内著名专家做大会报告,广泛欢迎全国从事光学及光电测试等相关领域的科技人员参加,交流"十二五"阶段的学术研究、技术开发的新进展,研讨新动态、新领域,同时欢迎公司企事业单位到会展示技术成果,洽谈产、学、研合作。一、关于征文内容(1)光学元件(普通元件、非球面元件、自由曲面元件、二元光学元件、天文光学镜面、梯度光学元件、离散光学元件,光栅元件等)的性能参数测试;(2)光学系统的成像质量评价与测试方法;(3)光学材料(玻璃、晶体、光学塑料、微纳结构与特种功能材料)特性参数测试;(4)光学薄膜特性参数     

非球面光学元件的面形检测技术

介绍了非球面各加工阶段的面形检测技术及其最新进展,重点介绍了非球面精密抛光期的面形检测技术,并对其中的非零位子孔径拼接干涉检测法和部分补偿法进行了详细阐述,提出了适用于大口径、深度非球面面形检测的组合干涉法的概念。概述了近年来受到关注的自由曲面非球面的发展和检测技术现状,展望了非球面检测技术的发展趋势。