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
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
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
Photochemistry
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Author : Angelo Albini
language : en
Publisher: Royal Society of Chemistry
Release Date : 2012-10-11
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 2012-10-11 with Science categories.
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.
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.
Photochemistry And Photophysics
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Author : Vincenzo Balzani
language : en
Publisher: John Wiley & Sons
Release Date : 2024-11-19
Photochemistry And Photophysics written by Vincenzo Balzani 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 2024-11-19 with Science categories.
Connects principles, processes, and experimental techniques with current research in the continuously expanding field of photochemistry and photophysics Photochemistry and Photophysics covers a wide spectrum of concepts in photochemistry and photophysics, introducing principles, processes, and experimental techniques, with a wealth of examples of current applications and research spanning natural photosynthesis, photomedicine, photochromism, luminescent sensors, energy conversion and storage, and sustainability issues. In this Second Edition, several chapters have been revised considerably and others have been almost entirely rewritten. A number of schemes and figures have been added, and the reference list at the end of each chapter has been extended and updated. Clearly structured, the first part of the text discusses the formation, properties, and reactivity of excited states of inorganic and organic molecules and supramolecular species, and the second part focuses on photochemical and photophysical processes in nature and artificial systems. Readers will learn how photochemical and photophysical processes can be exploited for novel, unusual, and unexpected applications. Written by world-renowned experts in the field, Photochemistry and Photophysics includes information on: Formation, electronic structure, properties, chemical reactivity, and radiative and nonradiative decay of electronically excited states Fundamental concepts and theoretical approaches concerning energy transfer and electron transfer Peculiar light absorption/emission spectra and the photochemical properties of the various families of organic molecules and metal complexes Equipment, techniques, procedures, and reference data concerning photochemical and photophysical experiments, including warnings to avoid mistakes and misinterpretations Relationships between photochemical, photophysical, and electrochemical properties of molecules that enable interconversion between light and chemical energy With an appropriate mix of introductory, intermediate, and advanced content, this is an ideal textbook resource for related undergraduate and postgraduate courses. The text is also valuable for scientists already active in photochemical and photophysical research who will find helpful suggestions to undertake novel scientific projects.
Photochemistry
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Author : D Bryce-Smith
language : en
Publisher: Royal Society of Chemistry
Release Date : 2007-10-31
Photochemistry written by D Bryce-Smith 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 2007-10-31 with Science categories.
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 34 covers literature published from July 2001 to June 2002. 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.
Handbook Of Aggregation Induced Emission Volume 1
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Author : Youhong Tang
language : en
Publisher: John Wiley & Sons
Release Date : 2022-04-04
Handbook Of Aggregation Induced Emission Volume 1 written by Youhong Tang 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 2022-04-04 with Science categories.
Der erste Band des ultimativen Referenzwerks zur Wissenschaft und Anwendung aggregationsinduzierter Emissionen Im Handbook of Aggregation-Induced Emission werden grundlegende und erweiterte Themen der aggregationsinduzierten Emissionen sowie innovative Entwicklungen in diesem Bereich dargestellt, einem wichtigen, interdisziplinären Forschungsbereich, in dem über die letzten zwanzig Jahre zahlreiche Fortschritte und Erfolge erzielt wurden. Die drei Bände des Werks vermitteln den Leserinnen und Lesern eine umfassende, aufschlussreiche Sichtweise, die für neue und erfahrene Forscher auf dem Gebiet der aggregationsinduzierten Emissionen verständlich ist. In diesem ersten der drei Bände geben die Herausgeber einen Überblick über das Gebiet der aggregationsinduzierten Emissionen und legen dabei den Schwerpunkt auf die Grundlagen der verschiedenen Felder, die zu diesem Fachgebiet gehören, wie kristallisationsinduzierte Emissionen, Phosphoreszenz bei Raumtemperatur, aggregationsinduzierte verzögerte Fluoreszenz usw. Es werden die neuen Eigenschaften von Materialien betrachtet, die durch molekulare Aggregate entstehen. Darüber hinaus enthält dieser Band: * Eine umfassende Einführung in das mechanistische Verständnis der Bedeutung der Molekularbewegung für aggregationsinduzierte Emissionen * Eine Betrachtung des Mechanismus der aggregationsinduzierten Emissionen auf molekularer Ebene * Praktische Erörterungen der aggregationsinduzierten Emissionen aufgrund der Einschränkung der Doppelbindungsrotation im angeregten Zustand sowie der durch Clusterbildung ausgelösten Emissionen Dieses dreibändige Werk ist ideal für Forscher im akademischen Bereich, die sich mit aggregationsinduzierten Emissionen befassen, es richtet sich aber auch an Fachleute und Studierende in den Bereichen Photophysik, Photochemie, Materialwissenschaft, optoelektronische Materialien, synthetische organische Chemie, makromolekulare Chemie, Polymerwissenschaft und Biowissenschaften.
Inorganic Photochemistry
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Author :
language : en
Publisher: Academic Press
Release Date : 2011-07-14
Inorganic Photochemistry written by and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-07-14 with Science categories.
The Advances in Inorganic Chemistry series present timely and informative summaries of the current progress in a variety of subject areas within inorganic chemistry, ranging from bio-inorganic to solid state studies. This acclaimed serial features reviews written by experts in the field and serves as an indispensable reference to advanced researchers. Each volume contains an index, and each chapter is fully referenced. - Features comprehensive reviews on the latest developments - Includes contributions from leading experts in the field - Serves as an indispensable reference to advanced researchers
Quantum Dynamics And Laser Control For Photochemistry
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Author : Matthieu Sala
language : en
Publisher: Springer
Release Date : 2016-01-23
Quantum Dynamics And Laser Control For Photochemistry written by Matthieu Sala and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-01-23 with Science categories.
The central subject of this thesis is the theoretical description of ultrafast dynamical processes in molecular systems of chemical interest and their control by laser pulses. This work encompasses different cutting-edge methods in quantum chemistry, quantum dynamics and for the rigorous description of the interaction of light and matter at the molecular level. It provides a general quantum mechanical framework for the description of chemical processes guided by laser pulses, in particular near conical intersections, i.e. geometries where the nuclear and electronic motions couple and the molecule undergoes non-adiabatic (or non-Born-Oppenheimer) dynamics. In close collaboration with experimentalists, the author succeeds in making a decisive step to link and to apply quantum physics to chemistry by transferring state of the art techniques and concepts developed in physics to chemistry, such as “light dressed atoms and molecules” and “adiabatic Floquet theory”. He applies these techniques in three prototypic model systems (aniline, pyrazine and NHD2) using high-level electronic structure calculations. Readers will enjoy the comprehensive and accessible introduction to the topic and methodology, as well as the clear structure of the thesis.