Chimie théorique

This is the first textbook in the field of electrochemistry that will teach experimental electrochemists how to carry out simulation of electrode processes. Processes at both macro- and micro-electro …

Oxidation reactions are an important chemical transformation in both academia and industry. Among the major advances in the field has been the development of catalytic processes, which are not only s …

Asymmetric autocatalysis is a reaction in which chiral compound acts as a chiral catalyst for its own production. The process is a catalytic automultiplication of the chiral compound leading to an en …

This elegant book provides a student-friendly introduction to the subject of physical chemistry. It is by the author of the very successful Basic Chemical Thermodynamics and is written in the same we …

Michael Wolff is the author of this complexity to humanity. To be philosophical requires no degree from a university. Questioning various things within life and things theoretical is reason itself th …

This book is a practical, easy to use guide for readers with limited experience of molecular modelling. It will provide students at the undergraduate and early postgraduate chemistry level with a sim …

The term ‘green chemistry’ was coined by Anastas and Warner in the early 1990s and it is nowadays the mainstay of designing and implementing advanced chemical processes that decrease or eliminate the …

Vol. 2 of Chemoinformatics of Natural Products introduces the reader to the currently available tools for toxicity prediction, drug property prediction, an enumeration of compounds, scaffolds and fun …

The fragment molecular orbital (FMO) method is a fast linear-scaling quantum-mechanical method employed by chemists and physicists all over the world. It provides a wealth of properties of fragments …

In recent years there have been great advances in the development of new nanomaterials. To facilitate the progress of new materials it is essential to understand the underlying principles at the nano …