Computational Photochemistry
eBook - ePub

Computational Photochemistry

  1. 368 pages
  2. English
  3. ePUB (mobile friendly)
  4. Available on iOS & Android
eBook - ePub

Computational Photochemistry

About this book

Computational Photochemistry, Volume 16 provides an overview of general strategies currently used to investigate photochemical processes. Whilst contributing to establishing a branch of computational chemistry that deals with the properties and reactivity of photoexcited molecules, the book also provides insight into the conceptual and methodological research lines in computational photochemistry. Packed with examples of applications of modelling of basic photochemical reactions and the computer-aided development of novel materials in the field of photodegradation (paints), photoprotection (sunscreens), color regulation (photochromic devices) and fluorescent probes, this book is particularly useful to anyone interested in the effect of light on molecules and materials.* Provides an overview of computational photochemistry, dealing with principles and applications* Demonstrates techniques that can be used in the computer-aided design of novel photo responsive materials* Written by experts in computational photochemistry

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Information

Publisher
Elsevier Science
Year
2005
eBook ISBN
9780080455198
Topic
Physical Sciences
Subtopic
Chemistry
Index
Chemistry

Table of contents

  1. Cover image
  2. Title page
  3. Table of Contents
  4. Theoretical and Computational Chemistry
  5. Front Matter
  6. Copyright page
  7. Dedication
  8. Foreword
  9. Erratum
  10. Preface
  11. Chapter I: Computational Photochemistry
  12. Chapter II: Ab Initio Methods for Excited States
  13. Chapter III: Density Functional Methods for Excited States: Equilibrium Structure and Electronic Spectra
  14. Chapter IV: Electronic and Vibronic Spectra of Molecular Systems: Models and Simulations based on Quantum Chemically Computed Molecular Parameters.
  15. Chapter V: Semiclassical Nonadiabatic Trajectory Computations In Photochemistry: Is The Reaction Path Enough To Understand A Photochemical Reaction Mechanism?
  16. Chapter VI: Computation of Photochemical Reaction Mechanisms in Organic Chemistry
  17. Chapter VII: Computation of Reaction Mechanisms and Dynamics in Photobiology
  18. Chapter VIII: Development of Theory with Computation
  19. Chapter IX: Calculations of Electronic Spectra of Transition Metal Complexes
  20. Chapter X: Perspectives in Calculations on Excited State in Molecular Systems
  21. Index

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Yes, you can access Computational Photochemistry by Massimo Olivucci in PDF and/or ePUB format, as well as other popular books in Physical Sciences & Chemistry. We have over one million books available in our catalogue for you to explore.