Química Teórica

The UK Catalysis Hub is a consortium of universities working together on fundamental and applied research to find out how catalysts work and to improve their effectiveness. The contribution of cataly …

Carotenoids are indispensable molecules for life. They are present everywhere in plants, algae and bacteria, whom they protect against free radicals and oxidative stress. Through consumption of fruit …

Quantum crystallography (QCr) is a novel scientific discipline combining quantum chemistry methods and crystal structure determination. Written by leading experts in the field, this book describes or …

Heterogeneous catalysis has developed over the past two centuries as a technology driven by the needs of society, and is part of Nobel Prize-winning science. This book describes the spectacular incre …

Historically the field of heterogeneous catalysis has focused on the design and optimisation of the catalytic materials. However, as these optimisations start to reach diminishing returns, attention …

This book examines the foundational theories of chemical kinetics. The first part covers gas-phase kinetics, while the second focuses on reactions in solution. Expounding on the theory, the book expl …

Ever wondered if the chemical processes taking place in space could be related to the origins of life? The authors of this book, both experienced astrochemists, embark on a discussion to find the ans …

Written chemical formulas, such as C2H6O, can tell us the constituent atoms a molecule contains but they cannot differentiate between the possible geometrical arrangements (isomers) of these models. …

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 …

This annual review provides critical analysis of the literature on photochemistry and its applications for anyone wanting to keep up to date with the field. Combining reviews on the latest advances i …