Theoretical and Computational Photochemistry

2023-04-21 Business & Economics

Author : García Iriepa Cristina
Release : 2023-04-21
Genre : Business & Economics
Kind : eBook
Book Rating : 225/5 ( reviews)

GET EBOOK

Book Synopsis Theoretical and Computational Photochemistry by : García Iriepa Cristina

Download or read book Theoretical and Computational Photochemistry written by García Iriepa Cristina. This book was released on 2023-04-21. Available in PDF, EPUB and Kindle. Book excerpt: 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

Computational Photochemistry

2005-10-20 Science

Author : Massimo Olivucci
Release : 2005-10-20
Genre : Science
Kind : eBook
Book Rating : 190/5 ( reviews)

GET EBOOK

Book Synopsis Computational Photochemistry by : Massimo Olivucci

Download or read book Computational Photochemistry written by Massimo Olivucci. This book was released on 2005-10-20. Available in PDF, EPUB and Kindle. Book excerpt: 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

Photochemistry

2018-05-04 Science

Author : Maurizio Persico
Release : 2018-05-04
Genre : Science
Kind : eBook
Book Rating : 724/5 ( reviews)

GET EBOOK

Book Synopsis Photochemistry by : Maurizio Persico

Download or read book Photochemistry written by Maurizio Persico. This book was released on 2018-05-04. Available in PDF, EPUB and Kindle. Book excerpt: This book offers an introduction to photochemistry for students with a minimal background in physical chemistry and molecular quantum mechanics. The focus is from a theoretical perspective and highlights excited state dynamics. The authors, experienced lecturers, describe the main concepts in photochemical and photophysical processes that are used as a basis to interpret classical steady-state experimental results (essentially product branching ratios and quantum yields) and the most advanced time-resolved techniques. A significant portion of the content is devoted to the computational techniques present in quantum chemistry and molecular dynamics.With its short summaries, questions and exercises, this book is aimed at graduate students, while its theoretical focus differentiates it from most introductory textbooks on photochemistry.

Theoretical Chemistry for Electronic Excited States

2018-03-02 Science

Author : Michael A Robb
Release : 2018-03-02
Genre : Science
Kind : eBook
Book Rating : 359/5 ( reviews)

GET EBOOK

Book Synopsis Theoretical Chemistry for Electronic Excited States by : Michael A Robb

Download or read book Theoretical Chemistry for Electronic Excited States written by Michael A Robb. This book was released on 2018-03-02. Available in PDF, EPUB and Kindle. Book excerpt: Over the past few decades, experimental excited state chemistry has moved into the femtochemistry era, where time resolution is short enough to resolve nuclear dynamics. Recently, the time resolution has moved into the attosecond domain, where electronic motion can be resolved as well. Theoretical chemistry is becoming an essential partner in such experimental investigations; not only for the interpretation of the results, but also to suggest new experiments. This book provides an integrated approach. The three main facets of excited-state theoretical chemistry; namely, mechanism, which focuses on the shape of the potential surface along the reaction path, multi-state electronic structure methods, and non-adiabatic dynamics, have been brought together into one volume. Theoretical Chemistry for Electronic Excited States is aimed at both theorists and experimentalists, involved in theoretical chemistry, in electronic structure computations and in molecular dynamics. The book will provide both with the knowledge and understanding to discover ways to work together more closely through its unified approach.

Computational Methods in Photochemistry

2005-05-05 Science

Author : Andrei G. Kutateladze
Release : 2005-05-05
Genre : Science
Kind : eBook
Book Rating : 582/5 ( reviews)

GET EBOOK

Book Synopsis Computational Methods in Photochemistry by : Andrei G. Kutateladze

Download or read book Computational Methods in Photochemistry written by Andrei G. Kutateladze. This book was released on 2005-05-05. Available in PDF, EPUB and Kindle. Book excerpt: Addressing critical aspects of computational modeling in photochemistry, Molecular Methods in Photochemistry is designed to familiarize researchers and practitioners with state-of-the-art computational methods to predict the reactivity of excited molecules. It provides practical guidelines and examples for the modeling of excited states and describ

Popular eBooks

Theoretical and Computational Photochemistry

Computational Photochemistry

Photochemistry

Theoretical Chemistry for Electronic Excited States

Computational Methods in Photochemistry

You may also like...