When one is faced with a condensed-phase system, usually containing many molecules, that is at or near thermal equilibrium, it is not necessary or even wise to try to describe it in terms of quantum wave functions or even classical trajectories of all of the constituent molecules. Instead, the powerful tools of statistical mechanics
Electrons are the “glue” that holds the nuclei together in the chemical bonds of molecules and ions. Of course, it is the nuclei’s positive charges that bind the electrons to the nuclei. The competitions among Coulomb repulsions and attractions as well as the existence of non-zero electronic and nuclear kinetic energies make the treatment of the full electronic-nuclear Schrödinger equation an extremely difficult problem. Electronic
In this Chapter, many of the basic concepts and tools of theoretical chemistry are discussed only at an introductory level and without providing much of the background needed to fully comprehend them. Most of these topics are covered again in considerably more detail in Chapters 6-8, which focus on the three primary sub-disciplines of the field. The purpose of the present Chapter is to give you an overview of the field that you will learn the details of in these later Chapters
1. 强电解质溶液理论 ① 强电解质和弱电解质：电解质定义、 分类及解离度 ② 强电解质溶液理论要点：离子氛概念 ③ 离子的活度、活度因子和离子强度 2. 弱电解质溶液的解离平衡 ① 弱酸、弱碱的解离平衡及其平衡常数 ② 酸碱平衡的移动——浓度、同离子效应和盐效应的影响 3. 酸碱的质子理论 ① 酸碱的概念 ② 酸碱反应的实质 ③ 水的质子自递平衡 ④ 共轭酸碱解离常数的关系 4. 酸碱溶液pH的计算 ① 强酸或强碱溶液 ② 一元弱酸或弱碱溶液 ③ 多元酸碱溶液 ④ 两性物质溶液：负离子型、弱酸弱碱型、氨基酸型 5. 酸碱的电子理论及软硬酸碱理论 6. 难溶强电解质的沉淀溶解平衡 ① 溶度积和溶度积规则 ② 沉淀的生成、分级沉淀和沉淀的溶解 ③ 沉淀溶解平衡实例
