共查询到20条相似文献,搜索用时 296 毫秒
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探讨了Gaussian软件在红外光谱学教学中的具体应用,帮助学生在课堂上对分子的三维空间结构、振动光谱的理解、振动模式的指认与归属等方面有更加感性的认识,从而提高课堂趣味性,使得教学内容更为形象生动。 相似文献
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介绍了iSpartan软件的特点及其在有机波谱解析教学中的具体应用。分子红外振动模型和红外与核磁波谱的吸收峰归属是波谱教学中的实践难点。通过iSpartan软件的简单可视化操作,使教学内容形象生动,有助于学生感性认知和深刻理解此部分内容,提高了波谱解析课程的教学效果。 相似文献
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结合环境化学的学科特点和学生的实际情况,探讨Gaussian软件(包括Gaussian03和GaussView)在环境化学教学中的应用。实践表明,引入计算化学软件使抽象的化学理论变得形象、简单,能够大大增强理论知识的生动性和实际应用能力,有利于培养学生的形象思维能力和提高教学效果。 相似文献
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应用Gaussian03及其附属软件Gauss View对大学化学教学中几个比较抽象的问题进行了分子轨道图形分析,这种形象的教学方法有利于突破教学难点,提高教学质量。 相似文献
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以6-甲氧基-7-羟基香豆素的核磁共振氢谱为例,介绍了MestReNova软件在有机化合物波谱解析教学中的具体应用。通过学生对该核磁软件的熟悉和应用,更深理解核磁光谱中所涉及的参数,如化学位移、偶合常数的由来、积分比例与质子数目的关系等,进而提高学生的学习兴趣和学习积极性,在独立处理图谱基础上解析图谱,更好地将理论知识应用到解析实例中,理论知识和实际应用有机融合,有利于培养学生探索能力、解决实际问题的能力,为将来进入科研领域培养思维能力和独立思考能力。 相似文献
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基于Gaussian 09软件对吲哚紫外光谱的理论研究结果,采用Gaussian View对其紫外光谱中的跃迁轨道进行可视化,让学生对紫外光谱中常见的π→π*跃迁有更感性的认识,以理解紫外光谱的本质,提高教学效果。吲哚的紫外光谱具有典型的π→π*跃迁特征,是紫外光谱教学中常用的案例。以此为例,介绍了Gaussian软件在紫外光谱教学中的具体应用。 相似文献
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V. I. Bol'shakova L. I. Demenkova É. N. Shmidt V. A. Pentegova 《Chemistry of Natural Compounds》1989,24(6):691-694
The compositions of the neutral diterpenoids of the oleoresins of five species of conifers growing in the Transcarpathia have been studied. It has been found that the oleoresins ofAbies alba M.,Larix decidua M., andPicea excelsa L. contain more than 50% of neutral diterpenoids. The group and qualitative compositions of the oxygen-containing diterpenoids have been determined. In the oleoresins ofAbies alba,Picea excelsa, andPicea abies tertiary alcohols — cis-abienol and isocembrol — predominate, while inLarix decidua the main component is the hydroxy ester larixyl acetate. Primary alcohols related to the resin acids have been found in all the oleoresins investigated. Features of the distribution of diterpenoids according to the species of conifers have been revealed. The results obtained are necessary for the chemotaxonomy of conifers of the family Pinceae.Novosibirsk Institute of Organic Chemistry, Siberian Branch, Academy of Sciences of the USSR. Translated from Khimiya Prirodynkh Soedinenii, No. 6, pp. 812–816, November–December, 1988. 相似文献
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利用手持技术改进测定乙醇分子结构实验 总被引:1,自引:0,他引:1
利用压强传感器代替排水集气法,改进测定乙醇分子结构实验的仪器装置,并探索最佳反应条件。另外,设计两个空白实验,结合压强变化曲线对实验误差进行相关讨论。 相似文献
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由于石化行业的生产需要,其材质的使用具有多样性和广泛性,经常会出现顾客委托的测试样品的一个或几个元素跨越光谱仪现有测试程序测量范围的情况。本法通过对光谱仪测试原理的认识,根据光谱仪的测试能力及标样的采集,实现了一个或几个元素测量范围的扩展,并对其测量的影响因素进行了研究。 相似文献
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Effect of the Method of Modification of Zeolite X on Selectivity of Catalytic Methylation of Toluene
Voloshyna Yu. G. Pertko O. P. Patrylak L. K. 《Theoretical and Experimental Chemistry》2019,54(6):395-400
Theoretical and Experimental Chemistry - The effect of the method of modification of catalysts based on zeolite X by cesium and magnesium cations (ion exchange and impregnation) on the selectivity... 相似文献
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Influence of viscosity of medium on processes of oxygen quenching of excited states of mesoporphyrin
E. I. Kapinus V. A. Ganzha B. M. Dzhagarov E. I. Sagun V. B. Pavlenko 《Theoretical and Experimental Chemistry》1989,25(2):146-151
The oxygen quenching rate constants for singlet and triplet excited states of the dimethyl ester of mesoporphyrin IX increase with decreasing viscosity of the medium and reach a maximum at a viscosity of approximately 0.4 mPa·sec, after which the rate constants begin to decrease. The drop in rate constant with increasing fluidity of the medium may be related to a nonequilibrium character of the elementary act in the interaction of the reactants in the solvent cage. In viscous media such as isopropyl alcohol, isobutyl alcohol, and isoamyl alcohol, the reaction radius is greater than the sum of the radii of the reacting particles. The long-range character of these processes is due to the relatively weak dependence of the quenching probability on distance.Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 25, No. 2, pp. 161–167, March–April, 1989. 相似文献
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The spectral-polarization characteristics of absorption and phosphorescence of molecules of the initial form of nitro-substituted
indolinospirobenzothiopyran were studied in oriented polyethylene films and in solutions with different polarity. An oscillator
model of the electron transitions responsible for the formation of absorption and luminescence spectra was suggested. It was
established that the principal differences in the spectral and photophysical properties of the compound studied and its oxygen-containing
analog are associated with the fact that the electronegativity of the S atom is lower than that of the O atom.
Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 6, pp. 1143–1146, June, 1997. 相似文献
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Kopranenkov V. N. Makarova E. A. Dashkevich S. N. Luk'yanets E. A. 《Chemistry of Heterocyclic Compounds》1982,18(11):1218-1218
Chemistry of Heterocyclic Compounds - 相似文献