Royal Society of Chemistry Computational Catalysis: Volume 14 - Royal Society of Chemistry

Explore the evolving landscape of chemical research with Computational Catalysis: Volume 14. Published by the Royal Society of Chemistry, this volume examines the progress made in the field over the last 30 years. While the long-term goal remains the complete computer-aided design of novel catalysts, the 21st century has brought significant advancements in understanding complex phenomena that affect catalyst behavior under real reaction conditions. This book provides an in-depth review of the methods and approaches currently being used to expand the limits of computational catalysis. By moving beyond theoretical models, the text focuses on practical applications and modern techniques. Each method discussed is paired with applied examples selected by the author to demonstrate how these computational tools function in real-world scenarios. This makes it a valuable resource for those studying physical chemistry and the digital modeling of chemical processes.