Theoretical Chemistry

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 …

This book discusses fragmentation mechanisms of molecules under mass spectrometry conditions and the resulting peaks observed in ESI-MS/MS experiments. The underlying principles are used to understan …

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 …

Presenting the basic science of semiconductor photocatalysis together with the various practical applications, this textbook is ideal for graduate students. It covers fundamental principles and appli …

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 …

Hydrogen bonded systems play an important role in all aspects of science but particularly chemistry and biology. Notably, the helical structure of DNA is heavily reliant on the hydrogens bonds betwee …

This textbook introduces the reader to quantum theory and quantum chemistry. The textbook is meant for 2nd – 3rd year bachelor students of chemistry or physics, but also for students of related disci …

This book contains the latest information on all aspects of the most important chemical thermodynamic properties of Gibbs energy and Helmholtz energy, as related to fluids. Both the Gibbs energy and …

In an effort to reduce dependency on fossil fuel resources, biomass could essentially be converted into chemicals using high capacity processes. The Fischer–Tropsch Synthesis (FTS) pathway has been c …

This book is a sequel of The Physics of Quantum Well Infrared Photodetectors (1997), which covered the basic physics of QWIPs. In the intervening 27 years, QWIP properties pertinent to infrared detec …