Application and progress of molecular vibrational spectrum in traditional Chinese medicine modernization 分子振动光谱在中药现代化中的应用
Raman spectrum is about to molecular vibration and rotation, because Raman spectrum is involved in molecular structure, the information of molecular structure can be got by the investigation of molecular Raman spectrum. 拉曼光谱属于分子的振动和转动光谱,由于其与分子结构有关,所以研究分子的拉曼光谱可以得到分子结构的信息。
The development and the accuracy of measurement in modern spectroscopy have motivated the rapid progress in atomic and molecular spectrum. 随着现代光谱实验技术和测量精度的不断提高,原子分子光谱的研究得到了迅猛发展。
Molecular Structure and Electronic Spectrum for Methyl Vinyl Siloxane under the External Electric Field 外电场作用下甲基乙烯基硅酮分子结构和电子光谱
Based on the theory of gas molecular absorption spectrum, structure of transmission type gas cell that based on GRIN lens is designed. 基于气体分子红外吸收光谱的原理,设计了基于自聚焦透镜的透射式气室结构。
With a brief description of adsorption and desorption processes and their types given, the overall design of the molecular beam-surface scattering spectrum apparatus we developed to use in our lab is outlined, as wll as the experimental techniques for investigating gas-surface adsorption and desorption. 本文首先概述了表面吸附、脱附过程及类型,接着叙述了本实验室自行研制的分子束-表面散射装置的总体设计及用来研究表面吸脱附的实验技术。
Density Functional Theory ( DFT) can calculate molecular vibration spectrum by means of the method based on approximately energy density function. Contrasting with Hartree-Fock, DFT can calculate larger complex matrix for its smaller calculation amounts. 密度泛函理论(Densityfunctionaltheory,DFT)以近似能量密度泛函为基础建立的方法可以对分子振动光谱进行理论上的计算,其计算量比从头计算方法小得多,可以计算大的复杂体系。
A simplified OH-CRDS, which is relatively easier to implement and more suitable for molecular ro-vibrational spectrum study, is suggested in the thesis. 本文提出简化的光外差腔衰荡光谱技术,技术实现相对简单,更适合于分子振转光谱研究。
By theoretical analysis for molecular vibration spectrum, coating model and absorptance addition, a coating material composed of binding agent, dye and filler is developed. 运用分子振动光谱、红外涂层模型和红外吸收系数迭加性等理论,对所选择的粘合剂、颜料和填料及其配制成的远红外涂料进行了详细的实验研究。
In the paper, the center absorption wave, the absorption shape, the gap between the adjacent lines and the intensity of absorption line are analyzed using quantum mechanics knowledge and molecular spectrum theory. It gives the theoretic description of the Beer-Lambert law. 本文应用量子力学和分子光谱理论分析了气体分子的吸收中心波长、吸收线型、吸收线宽和吸收谱线的强度分布等特性,给出了Beer-Lambert定律的理论解释。
Methods of successive falling-rising and rising-falling to derive molecular spectrum terms 推求分子谱项的递降&递升与递升-递降法
Temperature and pressure effect of sodium molecular absorption spectrum belt 钠分子吸收谱带温度压力效应
Raman spectrum belongs to molecular spectrum. 拉曼光谱属于分子光谱。
Spectrometer with dual light beams takes significant role in molecular absorption spectrum measurement. 双光束分光光度计在分子吸收光谱测量中起着十分重要的作用。
Molecular beam technique was combined with electron spectroscopy and mass spectrometer to form a molecular beam-surface scattering spectrum apparatus as a powerful tool for investigating kinetics and dynamics of gas-surface interactions. 分子束技术与表面电子谱、气体质谱分析技术相结合,形成分子束-表面散射谱,它是研究气体-表面相互作用动力学的有力工具。
Studying its molecular structure, vibration spectrum and adsorption peculiarity can help to analyze the structures and features of the higher generation dendrimer, and exploit their application territory. 研究它的分子结构、振动光谱和吸附特性等,有助于分析这族更高代的树枝状高分子的结构和特征,拓展其更广阔的应用领域。
The Simulation of the Molecular Spectrum in Microwave Induced Sulfur Plasma 微波诱导硫等离子体的分子光谱模拟
The Raman spectrum belongs to the molecular vibration spectrum, provides the unique "fingerprint" information of molecular, and may apply in the fields of biological interaction analysis, disease diagnosis, analytical chemistry and so on. 位曼光谱属于分子振动光谱。它能够提供分子特有的指纹信息,因而可应用于生物分子探测,疾病诊断和化学分析等领域。
The density functional theory/ time-dependent density functional theory ( DFT/ TD-DFT) theories, which can accurately predict the molecular structure 、 electronic spectrum 、 chromatic mechanism and the non-linear optical property of dyes, has become the most widely used calculation program by the chemists. 运用密度泛函理论(DFT)和含时密度泛函理论(TD-DFT)能够很好地研究染料分子的结构、电子光谱性质、发色机理及非线性光学特性,现已成为当今化学家广泛使用的研究工具之一。
Near infrared spectroscopy consists of frequency doubling and combination band of molecular vibration spectrum, but frequency doubling and combination band of molecular vibration spectrum in NIR zone is weak, band is complex and overlay. 近红外光谱分析主要利用分子的倍频与合频吸收,而分子在近红外区的倍频与合频吸收弱,谱带复杂,重叠多。
On the basis of obtaining stable molecular configuration, we combined with finite field ( FF) formalism and time-dependent density-functional theory ( TD-DFT) to calculate the second-order NLO property and molecular electric spectrum. 在所得优化结构的基础上,结合有限场方法(FF)和含时密度泛函理论(TDDFT)对这些分子的二阶NLO活性及电子吸收光谱进行了研究。
In the optimized spatial molecular structures, the vibration frequency and the coupling strength were calculated and the molecular vibration spectrum was obtained through the convolution calculation of the normal distribution function. 在优化的立体结构中,计算奶香味分子的振动频率和耦合强度,通过正态分布函数卷积计算以后得到分子的振动谱图。
It introduces the influence of the frequency displacement of the molecular spectrum and elaborates the advantage of the Raman spectroscopy in analysis field. 本文介绍了拉曼光谱的原理、应用和特征,给出了溶剂效应对分子光谱频率位移的影响,并阐述了拉曼光谱在分析领域的优点。
However, in the protein spectrum data analysis, the features of protein spectrum data are used to show the relationship between molecular structure and protein spectrum data, making the protein spectrum data be a typical high-dimensionality data. 但是在蛋白质谱数据分析中,大量质谱特征被用来表现蛋白质谱数据和分子结构之间的关系,这就使得蛋白质谱数据是典型的高维数据。
Raman spectrum belongs to molecular spectrum which is produced by inelastic collision when the light shines on moleculars. 拉曼光谱是光照射到物质上发生非弹性碰撞所引起的光散射效应,属于分子光谱。