Theoretical and Computational Photochemistry

Fundamentals, Methods, Applications and Synergy with Experimental Approaches

García Iriepa Cristina, Marco Marazzi

• Publisher: Elsevier
• Year: 2023
• ISBN:
  9780323972222
• Topic: Medizin
• Subtopic: Pharmakologie

Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches provides a comprehensive overview of photoactive systems and photochemical processes. After an introduction to photochemistry, the book discusses the key computational chemistry methods applied to the study of light-induced processes over the past decade, and 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 experimental findings. This helpful guide is for both theoretical chemists and experimental photochemistry researchers interested in 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

Table of contents

• Cover
• Title page
• Table of Contents
• Copyright
• Contributors
• Preface
• Part I: Fundamentals
• Part II: Methods
• Part III: Applications
• Part IV: Synergy with experimental approaches
• Index