共查询到20条相似文献,搜索用时 15 毫秒
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综述了图形处理器(GPU)在计算化学中的应用和进展.首先简单介绍了GPU在科学计算中应用的发展,然后分别详细讲述了迄今几个使用GPU和CUDA(compute unified device architecture,显卡厂商Nvidia推出的计算平台)开发工具设计的量子化学计算和分子动力学(MD)模拟的算法和程序,尤其对目前唯一完全使用GPU技术开发的量子化学计算软件TeraChem做了完备的介绍,包括算法、实现的细节和程序目前的功能.此外,本文还对GPU在计算化学上将会发挥的作用做出了极为乐观的展望. 相似文献
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通过改编传统实验,以及设计递进式、平行式、多元式、综合性实验,全方位锻炼学生的实验能力。设计仪器分析实验应重视对化学分析基本功的巩固、兼顾定性与定量分析、注重基础性与实用性的结合。此外,还应考虑培养学生数据处理的能力,教会学生分析方法学,促进学生科研思维的发展。 相似文献
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John G. McEvoy 《Foundations of Chemistry》2000,2(1):47-73
In recent years the Chemical Revolution has become a renewed focus of interest among historians of science. This interest isshaped by interpretive strategies associated with the emergence anddevelopment of the discipline of the history of science. The disciplineoccupies a contested intellectual terrain formed in part by thedevelopment and cultural entanglements of science itself. Threestages in this development are analyzed in this paper. Theinterpretive strategies that characterized each stage are elucidatedand traced to the disciplinary interests that gave rise to them. Whilepositivists and whigs appropriated the history of science to thejustificatory and celebratory needs of science itself, postpositivistslinked it to philosophical models of rationality, and sociologists ofknowledge sought its sociological reconstruction. Since none of thesestrategies do justice to the complexity of historical events, a modelof the Chemical Revolution is outlined which upholds the autonomyand specificity of history and the methods used to study it. 相似文献
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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. 相似文献
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仪器定量分析中几个问题的探讨 总被引:1,自引:0,他引:1
邓勃 《中国无机分析化学》2011,1(2):1-5
详细介绍了分析方法的评价指标,包括检出限、测定限、灵敏度、精密度、准确度、动态范围和线性范围、抗干扰能力等,单因素优化方法与加标回收实验评定测定结果准确度的可靠性,并就分析工作中遇到的一些实际问题进行了讨论. 相似文献
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新型固体汞电极在仪器分析实验中的应用 总被引:1,自引:0,他引:1
介绍了仪器分析实验中阳极溶出伏安法的改进方法。利用银汞固体电极阳极溶出伏安法连续测定痕量铜、铅、镉、锌。在pH=4.7的HAc-NH4Ac缓冲液中,富集电位为-1.3V,Cu2 、Pb2 、Cd2 、Zn2 在固体汞电极表面分别还原成金属,并沉积在工作电极上。溶出时电极上沉积的金属分别于-0.13、-0.45、-0.63和-1.00V产生4个灵敏的溶出峰,灵敏度与传统的液态汞电极相当。避免了汞电极使用中的不方便性和毒性。用于大学生实验可得到较好的实验效果。 相似文献
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全球气候变暖中的大气化学问题 总被引:2,自引:0,他引:2
介绍全球气候变暖中的大气化学问题。讨论臭氧层破坏的化学机理,从化学结构角度分析温室气体对温室效应的影响,并给出解决气候变暖的应对措施。 相似文献
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Summary An instrumental device for capillary electrochromatography (CEC) is described that permits conditioning of packed columns at pressures up to 100 bar, in or on-column fluorescence detection and electrokinetic sample injection. Capillaries with varying inner diameters (75, 100, 150 m) packed with octadecyl silica gel (3 m) are compared for efficiency and detection sensitivity. The influence of counter pressure on electroosmotic velocity and plate number is discussed. 相似文献