The contributions collected in this volume complement volume 1 of this series, disclosing results of current developments in methodologies and applications of c

There have been important developments in the last decade: computers are faster and more powerful, code features are enhanced and more efficient, and larger mol

Vast progress in the area of computational chemistry has been achieved in the last decade. Theoretical methods such as quantum mechanics, molecular dynamics and

A practical, easily accessible guide for bench-top chemists, thisbook focuses on accurately applying computational chemistrytechniques to everyday chemistry pro

Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common