Valency and Bonding: A Natural Bond Orbital Donor-Acceptor PerspectiveCambridge University Press, 17 de juny 2005 - 749 pàgines 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. |
Continguts
Electrostatic and ionic bonding 445 | 45 |
Molecular bonding in spblock elements | 89 |
Molecular bonding in the dblock elements | 363 |
Supramolecular bonding | 579 |
Appendix A Methods and basis sets | 710 |
Units | 723 |
| 732 | |
| 740 | |
Altres edicions - Mostra-ho tot
Valency and Bonding: A Natural Bond Orbital Donor-Acceptor Perspective Frank Weinhold,Clark R. Landis Previsualització no disponible - 2005 |
Frases i termes més freqüents
alkene analogous anion antibond approximation Bent's rule bond angles bond lengths bond orders bonding hybrids cation character charge transfer Chem chemical chemistry complexes compounds configuration conjugative coordination corresponding d-block dative delocalization density depicted diagram donor donor-acceptor interactions effects electron electronegativity electrostatic elements equilibrium equivalent example expected Figure formal geminal geometry H-bond H₂ hydrogen hyperbonding hyperconjugative hypervalent hypovalent idealized increased intermolecular ionic isomer kcal mol-¹ leading Lewis structure Lewis-like Li₂ ligand lone pairs M-H bonds main-group mol¹ molecular molecules monomer NAOS NLMO nonbonding normal-valent NRT bond orders occupancy optimized structure orthogonal overlap pattern perturbative Phys pi bond pi-type picture polarization potential-energy reaction resonance structures Section shown in Fig sigma sigma bonds species spin stabilization steric strong symmetry Table theory three-center torsional transition metals transition-metal two-center valence values variations versus wavefunction
Referències a aquest llibre
Understanding and Modelling Hydrogen Bonding in Liquid Water Revati Kumar Visualització de fragments - 2007 |