Modelling Molecular Structures
Modelling Molecular Structures
Hinchliffe, Alan
John Wiley & Sons Inc
07/2000
360
Mole
Inglês
9780471489931
15 a 20 dias
538
Preface to the First Edition
Preface to the Second Edition
Prerequisites
Molecular Mechanics
Dynamics
The Hydrogen Molecule Ion
The Hydrogen Molecule
The Electron Density
The Hartree-Fock Model
The Hueckel Model
Neglect of Differential Overlap Models
Basis Sets
Ab Initio Packages
Electron Correlation
Slater's X Model
Density Functional Therory
Potential Energy Surfaces
Dealing with the Solvent
Primary Properties and their Derivatives
Induced Properties
Miscellany
References
Index
Preface to the First Edition
Preface to the Second Edition
Prerequisites
Molecular Mechanics
Dynamics
The Hydrogen Molecule Ion
The Hydrogen Molecule
The Electron Density
The Hartree-Fock Model
The Hueckel Model
Neglect of Differential Overlap Models
Basis Sets
Ab Initio Packages
Electron Correlation
Slater's X Model
Density Functional Therory
Potential Energy Surfaces
Dealing with the Solvent
Primary Properties and their Derivatives
Induced Properties
Miscellany
References
Index