Chemical Modelling Applications and Theory, Volume 6

Chemical Modelling Applications and Theory, Volume 6 By Michael Springborg
2009 | 575 Pages | ISBN: 184755881X | PDF | 13 MB
Reflecting the growing volume of published work in this field, researchers will find this book an invaluable source of information on current methods and applications. Content: Front matter;Contents;Editorial announcement;Preface;Polarizabilities and hyperpolarizabilities; Spin-polarized reactivity indices from density functional theory: theory and applications;QSAR:old and new directions;Excitations;Wavefunction-based ab initio correlation method for metals: application of the incremental scheme to Be, Mg, Zn, Cd, and Hg;A new methodology for the development of numerical methods for the numerical solution of the Schrodinger equation;Nanostructures;