A broad overview of recent theoretical and computational developments in the field of chemical reactivity. The book contains contributions written by eminent sp

In the 1970s, Density Functional Theory (DFT) was borrowed from physics and adapted to chemistry by a handful of visionaries. Now chemical DFT is a diverse and

The progress in computer technology during the last 10-15 years has enabled the performance of ever more precise quantum mechanical calculations related to stru

The growth of technology for chemical assessment has led to great developments in the investigation of chemical reactivity in recent years, but key information

This book gathers original contributions from a selected group of distinguished researchers that are actively working in the theory and practical applications o