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Theoretical Organic Chemistry
(理论有机化学)

研究生课程(32 h)
介绍有机化学中的原理和理论(Principles and Theories), 并用这些原理和理论来分析有机化学中的反应机理问题理解有机化合物的结构-反应-性能问题等同时学会用计算化学来理解和预测有机化学中的各种化学反应和现象.

Chapter 0. Chemistry: Chem is try Computationally and Experimentally.
Chapter 1. Transition State Theory.
Chapter 2. Linear Free Energy Relationship.
Chapter 3. Valence Bond Theory in Organic Chemistry.
Chapter 4. Electrophilicity, Nucleophiliciy, Hardness, Softness.
Chapter 5. Building Molecular Orbitals.
Chapter 6. Atoms in Molecules Theory.
Chapter 7. Aromaticity.
Chapter 8. Intermolecular Forces.

 

Computational Chemistry-Quantum Chemistry Part
(计算化学—量子化学部分)

研究生课程(32 h)
介绍计算化学中的所用到的量子化学的基本原理和各种量子化学计算方法(Hartree-Fock, Configuration Interaction, Moller-Plesset perturbation theory, Density Functional Theory et al.), 并用它们来计算化合物的机构功能和光谱性质帮助深入理解各种化学反应的反应机理等问题.

Chapter 0. Introduction of Computational Chemistry
Chapter 1. Theoretical Background of Quantum Chemistry
Chapter 2. Hartree-Fock Approximation
Chapter 3. Perturbation Theory
Chapter 4. Density Functional Theory

Chapter 5. Specific Topics in Quantum Chemistry Calculations

 

Organic Chemistry
(有机化学)

本科生课程(60 h)
介绍有机化学的基本原理和反应.