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相关概念视频

X-ray Crystallography02:18

X-ray Crystallography

The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
Determination of Crystal Structures01:29

Determination of Crystal Structures

In the late 1800s, the revelation that light extended beyond visible wavelengths led to the discovery of X-rays by Wilhelm Roentgen. Recognized as high-energy electromagnetic radiation with short wavelengths, X-rays prompted exploration into their interaction with crystals. Max von Laue proposed in 1912 that the periodic arrangement of atoms, ions, or molecules in crystals would cause them to diffract X-rays, a hypothesis confirmed through experiments with copper sulfate and zinc sulfide...
X-ray Diffraction of Biological Samples01:10

X-ray Diffraction of Biological Samples

X-ray diffraction or XRD is an analytical tool that utilizes X-rays to study ordered structures such as crystalline organic and inorganic samples, polycrystalline materials, proteins, carbohydrates, and drugs.
According to Bragg's law, when X-rays strike the sample positioned on a stage, the rays are  scattered by the electron clouds around the sample atoms. The  X-ray diffraction or scattering is caused by constructive interference of the X-ray waves that reflect off the internal crystal...

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相关实验视频

Updated: Jul 11, 2026

Biochemical and Structural Characterization of the Carbohydrate Transport Substrate-binding-protein SP0092
08:53

Biochemical and Structural Characterization of the Carbohydrate Transport Substrate-binding-protein SP0092

Published on: October 2, 2017

电子群体参数从最小平方精细化X射线衍射数据的电子群体参数

P Coppens, L Csonka, T V Willoughby

    Science (New York, N.Y.)
    |February 20, 1970
    PubMed
    概括

    一种新的最小平方精细化方法分析了X射线衍射数据以确定分子电子密度. 这种电荷密度分析揭示了α-酸二水和酸中的电荷迁移.

    科学领域:

    • 晶体学 晶体学是指结晶学.
    • 量子化学 是一个量子化学.
    • 材料科学 材料科学 材料科学

    背景情况:

    • 准确的分子结构和电子分布对于理解化学性质至关重要.
    • 传统方法可能难以同时解决结构和电荷密度参数.

    研究的目的:

    • 开发和应用一种新的最小平方精细化技术,用于分析X射线衍射数据.
    • 为了确定分子电子密度分布和相关的电荷参数.

    主要方法:

    • 对X射线衍射数据的最小平方精细化.
    • 使用原子轨道产物的种群作为改进参数.
    • 使用补充的中子衍射数据进行验证.

    主要成果:

    • 该方法成功地应用于α-酸二水和酸.
    • 实现了结构和电荷密度参数的同时确定.
    • 在这两种分子中都观察到从pi (π) 轨道向sigma (σ) 轨道的电荷迁移的证据.

    结论:

    • 开发的精制过程为详细的分子电荷密度分析提供了强大的方法.
    • 这些发现为电子结构和分子内的电荷再分配提供了洞察力.

    更多相关视频

    Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene
    08:44

    Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene

    Published on: August 22, 2017

    Neutron Crystallography Data Collection and Processing for Modelling Hydrogen Atoms in Protein Structures
    10:10

    Neutron Crystallography Data Collection and Processing for Modelling Hydrogen Atoms in Protein Structures

    Published on: December 1, 2020

    相关实验视频

    Last Updated: Jul 11, 2026

    Biochemical and Structural Characterization of the Carbohydrate Transport Substrate-binding-protein SP0092
    08:53

    Biochemical and Structural Characterization of the Carbohydrate Transport Substrate-binding-protein SP0092

    Published on: October 2, 2017

    Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene
    08:44

    Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene

    Published on: August 22, 2017

    Neutron Crystallography Data Collection and Processing for Modelling Hydrogen Atoms in Protein Structures
    10:10

    Neutron Crystallography Data Collection and Processing for Modelling Hydrogen Atoms in Protein Structures

    Published on: December 1, 2020