Computational Photochemistry PDF Download

Author: Massimo Olivucci
Publisher: Elsevier
ISBN: 0080455190
Category : Science
Languages : en
Pages : 369

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Book Description
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

Author: García Iriepa Cristina
Publisher: Elsevier
ISBN: 0323972225
Category : Medical
Languages : en
Pages : 520

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Book Description
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

Author: Andrei G. Kutateladze
Publisher: CRC Press
ISBN: 1420030582
Category : Science
Languages : en
Pages : 530

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Book Description
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

Author: Angelo Albini
Publisher: Royal Society of Chemistry
ISBN: 1849734887
Category : Science
Languages : en
Pages : 333

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Book Description
Photochemistry reviews photo-induced processes that have relevance to the above wide-ranging academic and commercial desciplines, and interests in chemistry, physics, biology and technology. In order to provide easy access to this vast and varied literature, Photochemistry comprises sections sub-divided by chromophore and reaction type, and also a comprehensive section on polymer photochemistry. Throughout emphasis is placed on useful applications of photochemistry. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research and are compiled by teams of leading experts - a unique service for the active research chemist.

Author: Angelo Albini
Publisher: Royal Society of Chemistry
ISBN: 1847550541
Category : Science
Languages : en
Pages : 402

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Book Description
Compiled by teams of leading authorities this Specialist Periodical Report on Photochemistry aims to provide an annual review of photo-induced processes.

Author: Elisa Fasani
Publisher: Royal Society of Chemistry
ISBN: 1782624546
Category : Science
Languages : en
Pages : 289

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Book Description
Reviewing photo-induced processes that have relevance to a wide-ranging number of academic and commercial disciplines and interests covering chemistry, physics, biology and technology, this series is essential reading for anyone wishing to keep abreast of the current literature. Now in its 42nd volume, and with contributions from across the globe, this series continues to present an accessible digest of current opinion and research in all aspects of photochemistry. Topics covered in this volume include the state of the art in computational photochemistry, advances in dye sensitized photopolymerization processes, photoclick chemistry, and continuous flow photochemical reactions. This Specialist Periodical Report presents critical and comprehensive reviews of the last 12 months of the primary literature (drawing on 100's of citations) and is an essential resource for anyone working at the cutting edge of photochemistry and a gateway to newcomers in the field.

Author:
Publisher: Elsevier
ISBN: 0323990932
Category : Science
Languages : en
Pages : 216

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Book Description
Annual Reports in Computational Chemistry, Volume 18 in this important serial, highlights new advances in the field, with this new volume presenting interesting chapters on a variety of timely topics, including Atomistic modelling of surface plasmon resonances, Recent Advances in Solvation Modelling Applications: Chemical Properties, Reaction Mechanisms and Catalysis, Entropy considerations in catalysis, High level computational chemistry methods, and Computational Organofluorine chemistry. - Provides the authority and expertise of leading contributors from an international board of authors - Presents the latest release in the Annual Report on Computational Chemistry series - Covers topics ranging from atomistic modeling of surface plasmon resonances to computational organofluorine chemistry

Author: Ian R. Dunkin
Publisher: Royal Society of Chemistry
ISBN: 0854044558
Category : Reference
Languages : en
Pages : 406

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Book Description
The breadth of scientific and technological interests in the general topic of photochemistry is truly enormous and includes, for example, such diverse areas as microelectronics, atmospheric chemistry, organic synthesis, non-conventional photoimaging, photosynthesis, solar energy conversion, polymer technologies, and spectroscopy. This Specialist Periodical Report on Photochemistry aims to provide an annual review of photo-induced processes that have relevance to the above wide-ranging academic and commercial disciplines, and interests in chemistry, physics, biology and technology. In order to provide easy access to this vast and varied literature, each volume of Photochemistry comprises sections concerned with photophysical processes in condensed phases, organic aspects which are sub-divided by chromophore type, polymer photochemistry, and photochemical aspects of solar energy conversion. Volume 37 covers literature published from July 2004 to June 2007. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject areas, the series creates a unique service for the active research chemist, with regular, in-depth accounts of progress in particular fields of chemistry. Subject coverage within different volumes of a given title is similar and publication is on an annual or biennial basis.

Author: Maurizio Persico
Publisher: Springer
ISBN: 3319899724
Category : Science
Languages : en
Pages : 267

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Book Description
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.

Author: Satyen Saha
Publisher: BoD – Books on Demand
ISBN: 1789237831
Category : Science
Languages : en
Pages : 226

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Book Description
Photochemistry and photophysics are as old as our planet Earth. Photosynthesis in plants and vision in our eyes are natural examples of their importance. This book entitled "Photochemistry and Photophysics - Fundamentals to Applications" presents various advanced topics that inherently utilize core concepts of photochemistry and photophysics. There are eleven chapters in this book, which are divided into four 'parts'. While the first and second parts contain chapters describing the fundamentals of photochemistry and photophysics, respectively, the third part is on computational photochemistry. The last part deals with applications of photochemistry and photophysics. The goal of this book is to familiarize both research scholars and postgraduate students with recent advances in this exciting field.