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Valency and Bonding
A Natural Bond Orbital Donor-Acceptor Perspective
Clark R. Landis , Frank Weinhold
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.
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