Theoretical Aspects of Chemical Reactivity provides a broad overview of recent theoretical and computational advancements in the field of chemical reactivity. C

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

Reaction Rate Theory and Rare Events bridges the historical gap between these subjects because the increasingly multidisciplinary nature of scientific research