Computer Modeling in Inorganic Crystallography (Hardcover)

C.R.A. Catlow, Need and Scope of Modelling Techniques. Methodologies: J.D. Brown, Bond Valence Models. S.C. Parker and R.A. Jackson, Lattice Energy and Free Energy Minimisation. P.W.M. Jacobs, Molecular Dynamics Methods. C.N. Freeman and J.M. Newsam, Distance Least Squares and Simulated Annealing Techniques. R.L. McGreevy, Reverse Monte Carlo Methods for Structure Modelling. J.H. Harding, Defects and Surfaces. N. Harrison, Electronic Structure Techniques. Case Studies: G.D. Price and R.G. Bell, Silicates and Microporous Solids. N.L. Allan and W.C. Mackrodt, High Tc Superconductors. S.L. Price, Molecular Crystals. R. Vassal, Amorphous Solids. Subject Index