Theoretical and Computational Photochemistry. Fundamentals, Methods, Applications and Synergie with Experimental Approaches

Edited by Cristina García-Iriepa Universidad de Alcalá, Departamento de Química Analhica, Química Física e Ingeniería Química, Alcald de Henares, Madrid. Spain. Marco Marazzi Universidad de Alcala. Departements de Quimica Analitica, Quimica Fisica e Ingenieria Quimica, Alcala de Henares, Madrid, Spain Reflects the the key knowledge, current applications, and future potential of theoretical and computational methods for the study of light-induced processes.
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. While experimentation provides important information on such photochemical processes, computational and theoretical methods ore proving to be increasingly important tools. Theoretical and Computational Photochemistry : Fundamentals, Methods, and Applications in Synergy with Experimentation 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 discusses the key computational chemistry methods applied to the study of light-induced processes over the post decade. The book further outlines recent research topics to which these methods have been applied. By discussing the synergy between experimental and computational data, the book highlights how theoretical studies could facilitate understanding and rationalizing of experimental findings, both now and in the future.
Drawing on the experience of its expert editors and contributors, this helpful guide is both for theoretical-chemists who would like to enlarge their knowledge and for experimental researchers seeking to understand how theory can assist their photochemical studies. Key Features : - Reviews the fundamentals of photochemistry, helping those new to the field to understand 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 inspires further application of these methods to other photochemical processes.