Computational Methods In Photochemistry
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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 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 Medical 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.
Photochemistry
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Author : Angelo Albini
language : en
Publisher: Royal Society of Chemistry
Release Date : 2018-09-03
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 2018-09-03 with Science categories.
Providing critical reviews of recent advances in photochemistry, including computational and organic aspects, the latest volume in the series reflects the current interests in this area. It includes a series of highlights on photorelease processes (via two-photon excitation and Norrish type II reactions), the design of light-activated tissue bonding, photoresponsive molecular devices targeting nucleic acids, ECL based biosensing techniques, photochemical bond activation at metal centres, photoredox catalysis via aromatic hydrocarbons, photoinduced multicomponent reactions and asymmetric catalysis via triplet-state. This is essential reading for anyone wanting to keep up to date with the literature on photochemistry and its applications.
Photochemistry
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Author : Karen J. Maes
language : en
Publisher:
Release Date : 2011
Photochemistry written by Karen J. Maes and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011 with Photochemistry categories.
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.
Chiral Photochemistry
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Author : Yoshihisa Inoue
language : en
Publisher: CRC Press
Release Date : 2004-08-30
Chiral Photochemistry written by Yoshihisa Inoue and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004-08-30 with Medical categories.
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
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.
Computational Techniques For Analytical Chemistry And Bioanalysis
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Author : Philippe B Wilson
language : en
Publisher: Royal Society of Chemistry
Release Date : 2020-12-08
Computational Techniques For Analytical Chemistry And Bioanalysis written by Philippe B Wilson 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 2020-12-08 with Science categories.
As analysis, in terms of detection limits and technological innovation, in chemical and biological fields has developed so computational techniques have advanced enabling greater understanding of the data. Indeed, it is now possible to simulate spectral data to an excellent level of accuracy, allowing chemists and biologists access to robust and reliable analytical methodologies both experimentally and theoretically. This work will serve as a definitive overview of the field of computational simulation as applied to analytical chemistry and biology, drawing on recent advances as well as describing essential, established theory. Computational approaches provide additional depth to biochemical problems, as well as offering alternative explanations to atomic scale phenomena. Highlighting the innovative and wide-ranging breakthroughs made by leaders in computational spectrum prediction and the application of computational methodologies to analytical science, this book is for graduates and postgraduate researchers showing how computational analytical methods have become accessible across disciplines. Contributed chapters originate from a group of internationally-recognised leaders in the field, each applying computational techniques to develop our understanding of and supplement the data obtained from experimental analytical science.
Conical Intersections Electronic Structure Dynamics Spectroscopy
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Author : Wolfgang Domcke
language : en
Publisher: World Scientific
Release Date : 2004-07-14
Conical Intersections Electronic Structure Dynamics Spectroscopy written by Wolfgang Domcke and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004-07-14 with Science categories.
It is widely recognized nowadays that conical intersections of molecular potential-energy surfaces play a key mechanistic role in the spectroscopy of polyatomic molecules, photochemistry and chemical kinetics. This invaluable book presents a systematic exposition of the current state of knowledge about conical intersections, which has been elaborated in research papers scattered throughout the chemical physics literature.Section I of the book provides a comprehensive analysis of the electronic-structure aspects of conical intersections. Section II shows the importance of conical intersections in chemical reaction dynamics and gives an overview of the computational techniques employed to describe the dynamics at conical intersections. Finally, Section III deals with the role of conical intersections in the fields of molecular spectroscopy and laser control of chemical reaction dynamics.This book has been selected for coverage in:• CC / Physical, Chemical & Earth Sciences• Chemistry Citation Index(tm)• Index to Scientific Book Contents® (ISBC)