Geometry and electronic structure of a heterometallic cluster Mo<Subscript>2</Subscript>Mg<Subscript>2</Subscript> in different oxidation states of Mo: a DFT study

Reduction of tetranuclear heterometallic complex Mo₂Mg₂ was simulated using the B3LYP and PBE density functional methods. The results of geometry calculations of the initial complex [Mo^VIO₂Mg(MeOH)₂(OMe)₄]₂ and a partially reduced Mo^V complex are in good agreement with experimental data. The reduced Mo^III complex is characterized by a decrease in the binding energy of aqua ligands. Structural rearrangement of the complex with release of a coordination position at the Mo atoms requires small energy expenditure. One can assume that the reduction of the polynuclear complex causes overcrowding of its coordination sphere, which favors formation of dinitrogen complexes. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 441–457, March, 2008.     

虚拟技术在实验教学中的应用

介绍了虚拟技术在实验教学改革中的作用与意义，探讨了电子信息系统实验教学改革的新思路与实现措施，并总结了实验教学改革的初步成果．     

论餐饮服务质量的教学

当今饭店业的竞争日益激烈,提供顾客满意的服务是竞争的焦点和核心.服务质量是饭店的生命线,员工的素质是饭店服务质量的关键.     

无机化学教学中体现学生主体地位的策略

在无机化学教学中体现学生主体地位对培养学生终身学习的能力具有重要意义.结合具体事例,分别从创设问题情境、启发学生研学、组织学生讨论3方面论述了体现学生主体作用的策略,目的在于提高课堂教学效率.     

卤代对苝醌类光敏剂光敏活性影响的量子化学研究

以一种新型的醌类光敏剂—菌生素 (HMB)为模型化合物 ,利用量子化学从头算HF/ 6 31G和含时密度泛函TD B3LYP/ 6 31G方法计算研究了卤代作用对醌类光敏剂分子性质和光敏活性的影响 .结果发现 ,卤代作用降低了HMB母体的HOMO和LUMO能级 (EHOMO和ELUMO)及其差值△E ,随卤族元素从上到下 ,EHOMO和ELUMO呈增大趋势 ,而△E呈减小趋势 ,使得分子激发光谱有不同程度的红移 ,在增加PQP三重态量子产率的同时降低了分子最低三重激发态的能量 ,两种作用相互抵消 ,使得卤代物的 1O2 量子产率与母体相似 ;增加了分子的绝热电子亲合势 ,使分子产生O2 -的能力下降 ;卤原子的引入 ,降低了HMB母体分子内氢键的强度 ,同时使顺式构型的分子内质子传递势垒增大 ,而使反式构型势垒减小 .     

用电泳技术制备YBCO高温超导厚膜

介绍了电泳技术制备YBCO高温超导厚膜的实验方法和YBCO高温超导厚膜的电学性质测量 ,讨论了在学生小型科研实验或设计实验中开展此实验的学时安排、注意事项和实验内容的扩展 .     

医疗和危险废物高温洁净热处理及环境力学

结合2003年中国的突发危害公众健康的事件，分析了医疗、化学战剂及危险废物的分类、特性，比较了各种高温热处理技术的基本要求，方法分类和设备特点，包括：各类焚烧炉、热解炉和等离子体裂解装置．还对前处理工艺要求，尾气处理工艺等进行了分析讨论，讨论了防止二次污染的技术手段，特别介绍了二噁英等高危险性产物的特性．还介绍了发达国家的医疗废物和危险废物的管理、处置和二次污染防治等情况．     

对军队院校任职教育综合实践性教学体系建设的思考

本文从提高军队院校开展任职教育工作的效果出发,阐述了军队院校任职教育综合实践性教学体系建设的基本原则;总体设计了综合实践性教学体系的基本内容;提出了发展和完善综合实践性教学体系的基本措施。     

A Framework for Monitoring Progress and Planning Teaching Towards the Effective Use of Computer Algebra Systems

This article suggests a framework to organise a cluster of variables that are associated with students' effective use of computer algebra systems (CAS) in mathematics learning. Based on a review of the literature and from the authors' own teaching experience, the framework identifies the main characteristics of students' interactions with CAS technology and how these may be used to monitor students' developing use of CAS; from this, the framework may be used to plan teaching in order to gain greater benefit from the availability of CAS. Four case studies describing students' development over a semester are reported. These demonstrate a variety of combinations of technical competencies and personal attributes. They indicate the importance of both the technical and personal aspects but suggest that negative attitudes rather than technical difficulties can limit the effective use of CAS. Finally practical suggestions are given for teaching strategies which may promote effective use of CAS.This revised version was published online in September 2005 with corrections to the Cover Date.     

数量级在物理实验中的应用

介绍了数量级在物理实验设计、实验失败原因分析、误差分析及实验结果判断方面的应用．