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linjie137

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[资源] 【课件】无机化学中之物理方法（美国-麻省理工大学）

主要内容如下：
介绍
Introduction (PDF)

概论，教科书，晶体学研究历史
Overview, Textbooks, History of Crystallography
2 二维对称性
Symmetry in 2D (PDF)

对称性的定义，对称算符的定义
Definition of Symmetry, Introduction of Symmetry Operators

对称算符合对称操作的对应
Compatibility of Symmetry Operators with Translation

由对称操作导出平面群
Combining Symmetry Operations and Determination of Plane Groups
3 三维对称性
Symmetry in 3D (PDF - 1.0 MB)

将平面群的概念推广到三维：空间群
Extension of the Plane Groups Concept to the Third Dimension: Space Groups

旋转轴和滑移面的介绍
Introduction of Screw Axes and Glide Planes

点群和空间群
Point Groups v/s Space Groups

单胞和晶体学元胞（单胞也叫做结晶学元胞—译者注）The Unit Cell and Crystallographic Conventions
4 X射线和物质
X-rays and Matter (PDF)

X-ray 的产生
X-ray Generation

光对网格的和激光对点衍射实验
Diffraction Experiment with Optical Grids and Laser Pointers

卷积定理和傅立叶变换
Convolution Theorem and Fourier Transformation

布拉格定律和密勒指数
Introduction of Bragg's Law and Miller Indices
5 衍射的几何学
Geometry of Diffraction (PDF)

倒易空间和实空间
Reciprocal Space v/s Real Space

布拉格定律的几何解释－Ewald球
Ewald Construction as a Geometric Interpretation of Bragg's Law
6 结构因子（也叫形状因子－译者注）
Structure Factors

真实的原子不是固定不动的（原子形态因子）并且在不停的作热运动（原子位移修正）
Real Atoms are no Point Atoms (Atomic Form Factors) and Show Thermal Motion (Atomic Displacement Factors)

一个单胞内含有一个以上的原子时就会需要使用形状因子
Having More than One Atom per Unit Cell Leads to Structure Factors

傅立叶变换可以给出电子密度，衍射分辨率
Fourier Transformation Gives Rise to Electron Density; Crystallographic Resolution
7 形状因子II
Structure Factors II (PDF - 1.8 MB)

复指数，欧拉方程和Argand面
Complex Numbers, Euler's Equation and the Argand Plane

衍射相位问题介绍
Introduction of the Phase Problem
8 倒易空间的对称性
Symmetry in Reciprocal Space (PDF)

Friedel定律和劳厄群
Introduction of Friedel's Law and Laue Groups

空间群的确定：|E2-1|统计，结构缺失，晶系：单斜，三斜，四方和八面体
Space Group Determination: |E2-1| Statistics, Systematic Absences, Crystallographic Directions for Triclinic, Monoclinic, Orthorhombic and Tetragonal Systems

Patterson函数和Harker方法，以及直接方法
Introduction of the Patterson Function and Harker Sections, as well as Direct Methods for Structure Solution
9 精细结构
Structure Refinement (PDF)

电子密度图的不同类型
Different Types of Electron Density Maps (Fo, Fc, Fo-Fc, etc.)

各向异性位移参数的介绍
Introduction of Anisotropic Displacement Parameters

最优函数，最小二乘法和不同R因子
Minimization Functions: The Least-squares Approach and Different R-factors

晶体学参数，限制和修正
Crystallographic Parameters, Constraints and Restraints
10 精细结构II
Structure Refinement II

问题和失误：错误的空间群：原子类型分配（电子是蓝色的），无序，孪晶
Problems and Pitfalls: Wrong Space Group, Atom Type Assignment (All Electrons are Blue), Disorder, Twinning

良好的结构：（Libration，C-C三键，傅立叶变换相关波谱法等）
What are Artifacts (Libration, C-C Triple Bonds, Fourier Truncation Ripples, etc.)?

寻找氢原子， “Riding Model”
Finding the Hydrogen Atoms, "Riding Model"
11 反常散射
Anomalous Scattering (PDF)

对称性的晶体吸收了X射线光子的能量，结果导致与Fridel定律的偏离
Absorption of X-ray Photons Leads to Loss of Symmetry in Orbital Geometry, Which Results in a Violation of Fridel's Law

希望大家能用得上！[ Last edited by 快乐如风6107 on 2012-7-9 at 18:29 ]

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