Theoretical and Computational Photochemistry

Light-induced processes continue to be the subject of intensive study, thanks to their diverse properties and applicability to areas ranging from clean energy to environmental remediation. Whilst experimentation provides important information on such photochemical processes, computational and theoretical methods are proving to be increasingly important tools. Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches provides a comprehensive overview of such methods, showing the wide range of photoactive systems and photochemical processes they can be used to explore.After an introduction to photochemistry, the book goes on to discuss the key computational chemistry methods applied to the study of light-induced processes over the past decade, and further outlines recent research topics these methods have been applied to. By discussing the synergy between experimental and computational data, it highlights how theoretical studies could aid understanding and rationalizing of experimental findings, both now and in the future. Drawing on the experience of its expert editors and contributors, Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches is a helpful guide for both theoretical chemists and experimental researches in photochemistry who are interested in better utilizing computational photochemistry methods for their own work. Reviews the fundamentals of photochemistry, helping those new to the field in understanding key concepts Provides detailed guidance and comparison of computational and theoretical methods, highlighting the suitability of each method for different case studies Outlines current applications to encourage discussion of the synergy between experimental and computational data, and inspiring further application of these methods to other photochemical processes