Computational Methods in Photochemistry PDF Download
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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: Andrei G. Kutateladze
Publisher: CRC Press
ISBN: 1420030582
Category : Science
Languages : en
Pages : 530
Get Book Here
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: 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: 9780824753450
Category : Science
Languages : en
Pages : 536
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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 describes some of the latest approaches in the computational modeling of photochemistry in solutions and constrained media. Presents research from experts in the top tiers of computational chemistry and photochemistry including chapters by recognized specialists such as Howard Zimmerman, Josef Michl, Matthew Platz, Nina Gritsan, Weston Borden, Mike Robb, Michael Bearpark, Maccimo Olivucci, Martin Klessinger, Frank Weinhold, Todd Martinez, and others. While the issue of excited states is discussed in specialized computational series, these books address issues of organic photochemistry sparsely. There has been, until now, no volume specifically devoted to the computational methods in photochemistry with an emphasis on organic photochemistry.
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: Karen J. Maes
Publisher:
ISBN: 9781612095066
Category : Photochemistry
Languages : en
Pages : 0
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Book Description
This book presents current research in the study of photochemistry, including novel electron-transfer three-component visible light photoinitiating systems; photolabile molecules as light-activated switches to control biomolecular and biomaterial properties; organic photochemistry with computational methods; photoinduced transformation processes in surface waters and photochemical processes in needles of over-wintering evergreen conifers.
Author: Stefano Crespi
Publisher: Royal Society of Chemistry
ISBN: 183916767X
Category : Science
Languages : en
Pages : 553
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Book Description
This annual review, the 50th volume in the series, provides critical analysis for anyone wanting to keep up to date with the literature on photochemistry and its applications. This essential volume combines reviews on the latest advances in photochemical research with specific topical highlights in the field. The volume starts with periodical reports of the recent literature on organic and computational aspects, including computational advances in photochemistry, chemiluminescence and dark photochemistry, organic aspects of photochemistry of alkenes, dienes and polyenes, aromatic compounds, oxygen-containing functions and those functions containing other heteroatoms, and finally a chapter on transition metal catalysis. Coverage continues in the second part with highlighted topics including photochemical tools for sensing and controlling biological processes, visible light driven enantioselective processes, photochemical formation of C–Chalcogen bonds, photoelectrocatalysis, photovoltaic techniques, photochemical activation of aryl chlorides, luminescent water-soluble systems and computational analyses of fluorescence absorption spectra. This volume will again include a third section entitled ‘SPR Lectures on Photochemistry’, providing examples for academic readers to introduce a photochemistry topic and precious help for students in photochemistry.
Author: Yoshihisa Inoue
Publisher: CRC Press
ISBN: 0203026349
Category : Medical
Languages : en
Pages : 704
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Book Description
Control of molecular chirality is central to contemporary chemistry, biology, and materials-related areas. Chiral photochemistry employs molecular and supramolecular chiral interactions in the electronically excited state to induce molecular chirality, providing new and versatile strategies and surprising results unattainable by conventional therma
Author: Vincenzo Balzani
Publisher: John Wiley & Sons
ISBN: 3527334793
Category : Science
Languages : en
Pages : 516
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Book Description
Ein Lehrbuch eines exzellenten Autorenteams mit wissenschaftlicher Erfahrung und der Kompetenz im Schreiben didaktischer Texte zu allen Facetten der Photochemie und Photophysik: Grundlagen sowie ausgewählte Beispielen moderner Anwendungen und aus der heutigen Forschung.
Author: Angelo Albini
Publisher: Royal Society of Chemistry
ISBN: 1849739560
Category : Reference
Languages : en
Pages : 288
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Book Description
The SPR in Photochemistry provides essential reading for anyone wishing to keep up to date with the literature or gain a broad appreciation of the field.
