在化学教学中渗透思想品德和科学素养教育

整个化学发展历史就是科学家为科学奋斗献身的历史,是科学家自觉不自觉运用唯物论和辩证法思想的历史,化学中含有丰富的思想品德和科学素养教育素材。化学教师应该不失时机地在课堂教学中渗透马克思主义辩证自然观教育、爱国主义和意志品格教育、严谨求实的科学精神教育,为全面提高学生素质和课程教学质量服务。     

How to write a paper on a subject in mechanics

EDITOR'S NOTE Although written before the publication of my Note which appeared in the first issue of 1993, the following essay gives a fundamental contribution to the discussion I tried to spur: how to (and why) write a paper, how to evaluate it, and consequently how to run a journal of mechanics—this journal. The dream of your Editor is to publish only papers which meet fully the requirements for appreciation set forth by Piero Villaggio: his wish, that every now and then some published paper will meet these requirements. In the meantime, let us hope that all prospective authors of ‘Meccanica’ read Villaggio's essay.     

讨论式教学在仪器分析课程中的实践探索

In order to improve the quality of classroom teaching to better serve the purpose of cultivating talents, we explored the discussion teaching in instrumental analysis course based on its characteristics. In this paper, we summarized the teaching practice including introduction of course, teaching design, teaching process and teaching evaluation, which would provide experience for the exploration of classroom teaching in chemistry major.     

E-science infrastructures for molecular modeling and parametrization

E-science infrastructures are becoming the essential tools for computational scientific research. In this paper, we describe two e-science infrastructures: Science and Engineering Applications Grid (SEAGrid) and molecular modeling and parametrization (ParamChem). The SEAGrid is a virtual organization with a diverse set of hardware and software resources and provides services to access such resources in a routine and transparent manner. These essential services include allocations of computational resources, client-side application interfaces, computational job and data management tools, and consulting activities. ParamChem is another e-science project dedicated for molecular force-field parametrization based on both ab-initio and molecular mechanics calculations on high performance computers (HPCs) driven by scientific workflow middleware services. Both the projects share a similar three-tier computational infrastructure that consists of a front-end client, a middleware web services layer, and a remote HPC computational layer. The client is a Java Swing desktop application with components for pre- and post-data processing, communications with middleware server and local data management. The middleware service is based on Axis2 web service and MySQL relational database, which provides functionalities for user authentication and session control, HPC resource information collections, discovery and matching, job information logging and notification. It can also be integrated with scientific workflow to manage computations on HPC resources. The grid credentials for accessing HPCs are delegated through MyProxy infrastructure. Currently SEAGrid has integrated several popular application software suites such as Gaussian for quantum chemistry, NAMD for molecular dynamics and engineering software such as Abacus for mechanical engineering. ParamChem has integrated CGenFF (CHARMM General Force-Field) for molecular force-field parametrization of drug-like molecules. Long-term storage of user data is handled by tertiary data archival mechanisms. SEAGrid science gateway serves more than 500 users while more than 1000 users use ParamChem services such as atom typing and initial force-field parameter guess at present.     

��ѧ����ѧCCD��������Է���

从噪声来源出发,基于入射光子、暗电流、偏置信号的涨落均近似满足泊松分布的条件,得到了更为精准的信噪比表达式。实验设置CCD增益、读出速率、冷却温度分别为3、100k Hz、?25°C,得出光子转移曲线。通过设置不同实验条件,分别探讨了暗电流、读出速率和系统增益对该科学级光学CCD信噪比的影响。实验结果与理论预期吻合得很好,为科学级光学条纹相机的设计以及弱光标定实验室自动化平台的搭建提供了良好的实验依据。     

工科化学类研究生材料热力学课程教学体系改革研究

"材料热力学"是哈尔滨工业大学化学化工、材料科学与工程等相关专业的研究生学位课。通过精选教材、调整教学内容、探讨材料热力学课程课堂教学与前沿科研成果有机结合的教学模式,融汇基础与前沿,优化热力学教学内容中基础知识和科研成果的最佳结合途径,改变学生应试教育的学习方式,培养学生的创新兴趣、多元化思维及科研素质,全面提高学生的综合能力和独立工作能力。     

Einstein-Podolsky-Rosen experiments: the structure of the probability space. I

Incompatibility of measurements, central to quantum mechanics, is captured in the formalism of empirical logic, which is based on a generalization of the notion of a sample space in Kolmogoroff's axiomatic theory of probability. In composite empirical systems of the kind considered in the Einstein-Podolsky-RosenGedankenexperiment, incompatibility gives rise to the notion of influence, which is closely related to stochastic independence.These concepts are used to study the methodological structure of a large class of Einstein-Podolsky-Rosen type experiments, linking a series of much debated issues such as scientific Realism, ontological and epistemic uncertainty, determinism, locality, separability, factorizability, completeness, conservation, correlation, Bell-Clauser-Horne inequalities, and hidden-variables models to an axiomatic probability theory.1. My translation. Fine infers a missing not in the first part of the sentence and translates I can not reconcile myself to the following, that a manipulation undertaken on A has an influence on B.... I do not dispute that Einstein could not reconcile himself with such a postulate of influence, and thus I agree with Fine's comments on this sentence. However, the German original needs no negation if one surmises that Einstein writes about the consequences of ahypothesis of influence.2. The quasimanualAB consists of all subsets ofXY of the form _xE xF _x, whereE A andF _x B for allx E can be chosen in all possible ways, together with the symmetrical subsets ofXY, where the rôle ofA andB is exchanged. See Refs. [22,43,55] for the technical details.     

On the use of isovalued surfaces to determine molecule shape and reaction pathways

Summary Novel insights into local molecule structure and reactivity can be gained from viewing isovalued surfaces of the molecular electron density, electrostatic potential and molecular orbitals rendered as colored, 3-D objects. For example, drawing positive and negative electrostatic isopotential surfaces partitions the molecule into regions subject to nucleophilic or electrophilic attack. Similarly, coloring isodensity surfaces to indicate the magnitude of the gradient of the electron density maps the molecule surface into regions of high and low electronegativity.A basic understanding of reaction mechanisms can also come from viewing and manipulating isovalued surfaces. A theory of molecular interactions, based upon second-order perturbation theory, provides for the decomposition of the intermolecular interaction energy into steric, electrostatic and orbital interactions. Color figures illustrate the docking of reactant molecular densities, electrostatic potentials and orbitals on low-energy pathways. The figures are used to visualize the steric, electrostatic and orbital contributions to molecular interaction energy. The visualization not only identifies low-energy reaction pathways, but it frequently reveals local interactions which determine the magnitude of the total interaction energy. Similar insight is not easily obtained by simple evaluation of the total interaction energy. Approximate transition states, built from structures along low-energy approach pathways, are excellent starting points for transition state searches.CAChe^TM Technical Report No. 1, Tektronix Inc., Beaverton, OR.     

在药学院的无机化学教学中培养学生的科学思维能力

通过一些具体实例说明如何在药学院的无机化学课程教学中培养学生的科学思维能力,唤醒学生的求知欲,增强学生获取知识的独立性与主动性。     

近代化学巨匠:尤斯图斯?冯?李比希

尤斯图斯?冯?李比希是近代化学史上最杰出的化学家之一。李比希的人生经历中蕴含着许多教学元素,如教育报国,创新改革化学教育模式;不畏艰难,开拓学科新领域;开放创新,创建基于大学的自然科学学派;辩证唯物,坚持真理的科学态度;学以致用,联系实际的实践精神等值得我们深入分析,并将其精华在新时代的教学育人和学科建设中实践应用。