Computational Photochemistry
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Computational Photochemistry
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Author : Massimo Olivucci
language : en
Publisher: Elsevier
Release Date : 2005-10-20
Computational Photochemistry written by Massimo Olivucci and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-10-20 with Science categories.
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
Theoretical And Computational Photochemistry
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Author : García Iriepa Cristina
language : en
Publisher: Elsevier
Release Date : 2023-04-21
Theoretical And Computational Photochemistry written by García Iriepa Cristina and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-04-21 with Business & Economics categories.
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
Photochemistry
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Author : Maurizio Persico
language : en
Publisher: Springer
Release Date : 2018-05-04
Photochemistry written by Maurizio Persico and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-05-04 with Science categories.
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.
Computational Methods In Photochemistry
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Author : Andrei G. Kutateladze
language : en
Publisher: CRC Press
Release Date : 2005-05-05
Computational Methods In Photochemistry written by Andrei G. Kutateladze and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-05-05 with Science categories.
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
Computational Photocatalysis
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Author : Dmitri Kilin
language : en
Publisher:
Release Date : 2019
Computational Photocatalysis written by Dmitri Kilin and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019 with SCIENCE categories.
Contains sequences that illustrate various technology-based science topics.
Photochemistry Volume 48
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Author : Stefano Protti
language : en
Publisher: Royal Society of Chemistry
Release Date : 2020-11-17
Photochemistry Volume 48 written by Stefano Protti and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-11-17 with Science categories.
This volume combines reviews on the latest advances in photochemical research with specific topical highlights in the field. Starting with periodical reports of the recent literature on organic and computational aspects including reports on computational photochemistry and chemiluminescence of biological and nanotechnological molecules, photochemistry of alkenes, dienes and polyenes, aromatic compounds and oxygen-containing functions. The final chapter of this section is a review of industrial application of photochemistry from 2014 to 2019. Coverage continues with highlighted topics, in the second part, from ruthenium-caged bioactive compounds, advances in logically and light induced systems, developments of metal-free photocatalysts, photoresponsive organophosphorus materials and applications of photo-fragmentation in synthesis, photo-click chemistry and azo-based molecular photoswitches. This volume will again include a section entitled 'SPR Lectures on Photochemistry', a collection of examples for academic readers to introduce a photochemistry topic and precious help for students in photochemistry. Providing critical analysis of the topics, this book is essential reading for anyone wanting to keep up to date with the literature on photochemistry and its applications. "A certain amount of energy destroys the same amount of CO2 according to the whether it is administered continuously or intermittently. In order to rationalize this result there are two possibilities, either the destruction of CO2 further occurred in the dark periods, which would lead to the same form of energy storing form, or in the illuminated period the reaction goes at twice the rate." O. Warburg, Biochem. Z., 1919, 100, 230-270.
Photophysics And Photochemistry Of A Bodipy Based Photosensitizer
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Author : Karl Michael Ziems
language : en
Publisher: Springer
Release Date : 2019-04-24
Photophysics And Photochemistry Of A Bodipy Based Photosensitizer written by Karl Michael Ziems and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-04-24 with Science categories.
Karl Michael Ziems investigates a meso-mesityl-2,6-Iodine substituted Boron Dipyrromethene (BODIPY) dye regarding its functionality as photosensitizer in a two-component light-driven hydrogen evolution. The author uses quantum chemical calculations performed at the time-dependent density functional (TDDFT) and multi-state restricted active space perturbation theory through second-order (MS-RASPT2) level of theory. The light-induced processes associated with the formation of the active photosensitizer, i.e., by means of charge separation, as well as the population of undesired degradative pathways are elucidated. Hereby, the two proposed and investigated mechanisms are based on a heavy atom effect of iodine in the (excited) singlet/triplet manifold and preliminary reduction (of the dye) by a sacrificial electron donor and subsequent photoexcitation.
Reviews In Computational Chemistry Volume 15
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Author : Kenny B. Lipkowitz
language : en
Publisher: John Wiley & Sons
Release Date : 2009-09-22
Reviews In Computational Chemistry Volume 15 written by Kenny B. Lipkowitz and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-09-22 with Science categories.
THIS VOLUME, WHICH IS DESIGNED FOR STAND-ALONE USE IN TEACHING AND RESEARCH, FOCUSES ON QUANTUM CHEMISTRY, AN AREA OF SCIENCE THAT MANY CONSIDER TO BE THE CENTRAL CORE OF COMPUTATIONAL CHEMISTRY. TUTORIALS AND REVIEWS COVER * HOW TO OBTAIN SIMPLE CHEMICAL INSIGHT AND CONCEPTS FROM DENSITY FUNCTIONAL THEORY CALCULATIONS, * HOW TO MODEL PHOTOCHEMICAL REACTIONS AND EXCITED STATES, AND * HOW TO COMPUTE ENTHALPIES OF FORMATION OF MOLECULES. A FOURTH CHAPTER TRACES CANADIAN RESEARCH IN THE EVOLUTION OF COMPUTATIONAL CHEMISTRY. ALSO INCLUDED WITH THIS VOLUME IS A SPECIAL TRIBUTE TO QCPE.FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry proves itself an invaluable resource to the computational chemist. This series has a place in every computational chemist's library."-Journal of the American Chemical Society
Photochemistry And Photophysics
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Author : Satyen Saha
language : en
Publisher: BoD – Books on Demand
Release Date : 2018-10-17
Photochemistry And Photophysics written by Satyen Saha and has been published by BoD – Books on Demand this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-10-17 with Science categories.
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.
Photochemistry
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Author : Angelo Albini
language : en
Publisher: Royal Society of Chemistry
Release Date : 2012-11-06
Photochemistry written by Angelo Albini and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-11-06 with Reference categories.
Compiled by teams of leading authorities this Specialist Periodical Report on Photochemistry aims to provide an annual review of photo-induced processes.