Valency and Bonding: Contents
Valency and Bonding: Contents
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DOI：
10.1017/cbo9780511614569
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发表时间：
2005
期刊：
影响因子：
--
通讯作者：
F. Weinhold;C. Landis
中科院分区：
文献类型：
--
作者：
F. Weinhold;C. Landis
1介绍和理论背景1 1.1薛定谔方程和化学模型1 1.2氢原子轨道8 1.3多电子系统：Hartree-Fock和相关处理13 1.4 Hartree-Fock框架中轨道的微扰理论：1.5密度矩阵，自然定域和离域轨道，1.6自然共振结构和权重32 1.7泡利-交换反对称和空间排斥36 1.8总结40第1章注释41 2静电和离子键45 2.1引言45 2.2原子和离子键离子轨道47 2.3离子键中的电荷转移和杂化49 2.4离子键中杂化的供体-受体理论55 2.5离子-共价跃迁60 2.6离子-偶极和偶极-偶极键64 2.7重碱土金属的弯曲离子化合物73 2.8 d-2.9概要86第二章的注释87.
1 Introduction and theoretical background 1 1.1 The Schr6dinger equation and models of chemistry 1 1.2 Hydrogen-atom orbitals 8 1.3 Many-electron systems: Hartree-Fock and correlated treatments 13 1.4 Perturbation theory for orbitals in the Hartree-Fock framework: the donor-acceptor paradigm 16 1.5 Density matrices, natural localized and delocalized orbitals, and the Lewis-structure picture 21 1.6 Natural resonance structures and weightings 32 1.7 Pauli-exchange antisymmetry and steric repulsions 36 1.8 Summary 40 Notes for Chapter 1 41 2 Electrostatic and ionic bonding 45 2.1 Introduction 45 2.2 Atomic and ionic orbitals 47 2.3 Charge transfer and hybridization in ionic bonding 49 2.4 Donor-acceptor theory of hybridization in ionic bonding 55 2.5 Ionic-covalent transitions 60 2.6 Ion-dipole and dipole-dipole bonding 64 2.7 Bent ionic compounds of heavy alkaline earths 73 2.8 Ionic bonding in d-block elements 76 2.9 Summary 86 Notes for Chapter 2 87.