Download or read book Computational Methods in Photochemistry written by Andrei G. Kutateladze and published by CRC Press. This book was released on 2005-05-05 with total page 530 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book Computational Photochemistry written by Massimo Olivucci and published by Elsevier. This book was released on 2005-10-20 with total page 369 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book Computational Methods in Photochemistry written by Andrei G. Kutateladze and published by CRC Press. This book was released on 2005 with total page 536 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Theoretical and Computational Photochemistry written by García Iriepa Cristina and published by Elsevier. This book was released on 2023-04-21 with total page 520 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book Photochemistry written by Maurizio Persico and published by Springer. This book was released on 2018-05-04 with total page 267 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Photochemistry written by Karen J. Maes and published by . This book was released on 2011 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Photochemistry of Organic Molecules in Isotropic and Anisotropic Media written by V Ramamurthy and published by CRC Press. This book was released on 2019-08-30 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text discusses di-p-methane rearrangements via radical-cation intermediates, the photo-Fries rearrangement in organized media and of biologically active compounds, electron transfer leading to fragmentation, dimerization, and nucleophilic capture, and the characterization and reactivity of photochemically generated phenylene bis(diradical) species. The authors reveal experimental and computational techniques for the study of phenylene-linked carbenes and nitrenes. Brimming with over 900 references, Photochemistry of Organic Molecules in Isotropic and Anisotropic Media is crucial for professionals and students in photochemistry; chemical engineering; materials and semiconductor science; and organic, inorganic, and physical chemistry.
Download or read book Photochemistry and Photophysics written by Vincenzo Balzani and published by John Wiley & Sons. This book was released on 2014-06-09 with total page 516 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book CRC Handbook of Organic Photochemistry and Photobiology written by Axel G. Griesbeck and published by CRC Press. This book was released on 2012 with total page 943 pages. Available in PDF, EPUB and Kindle. Book excerpt: This title includes research from experts in organic chemistry & many other disciplines. There are sections on new terminology, the usefulness of particular reactions & experimental details.
Download or read book Chiral Photochemistry written by Yoshihisa Inoue and published by CRC Press. This book was released on 2004-08-30 with total page 704 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book Photochemical Reactors written by Ernest R. Blatchley, III and published by John Wiley & Sons. This book was released on 2022-11-03 with total page 612 pages. Available in PDF, EPUB and Kindle. Book excerpt: An intuitively organized and incisive exploration of UV radiation and its modern applications In Photochemical Reactors: Theory, Methods, and Applications of Ultraviolet Radiation, distinguished civil engineer and researcher Dr. Ernest R. Blatchley III delivers a comprehensive exploration of the theory, methods, and contemporary and emerging applications of ultraviolet (UV) radiation. The author describes the fundamentals of the history of photochemistry and photochemical reactions before moving on to consider the dynamic behavior of UV-based reactor systems and the physical concepts that govern natural and man-made sources of UV radiation. The book also covers the numerical and empirical methods used to evaluate photochemical kinetics, photobiological kinetics, and the dynamics of UV photoreactors. Common and emerging applications of UV radiation—like the disinfection of water, wastewater, air, and surfaces—are discussed, and UV-induced transformation processes are also explored. Readers will also find: Thorough introductions to methods and principles that are universal to UV processes, as well as comparisons between those processes Critical explorations of the physics of natural and artificial sources of ultraviolet radiation Practical discussions of modern applications of UV radiation, including the disinfection of water, air, wastewater, and surfaces, as well as the use of UV photoreactors to promote photolysis and photo-initiated, radical-mediated reactions Perfect for UV professionals, academics, and scientists, Photochemical Reactors: Theory, Methods, and Applications of Ultraviolet Radiation will also earn a place in the libraries of professionals working in companies that manufacture UV reactors, as well as engineering consultants with a professional interest in ultraviolet radiation.
Download or read book Photochemistry written by Angelo Albini and published by Royal Society of Chemistry. This book was released on 2012-10-11 with total page 333 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Advancing Ab Initio Electronic Structure Theory and Computational Methods for Excited State Molecular Dynamics written by Chenchen Song and published by . This book was released on 2018 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Photochemistry studies chemical reactions caused by absorption of light. Developing theoretical and computational tools for photochemistry will not only help better understand photochemical processes such as photosynthesis and vision, but can also provide guidelines about how molecular photodevices can be better designed. Therefore, the goal of my graduate research is to develop a set of computational tools for studying photochemical processes. Physical systems have a hierarchical structure, i.e. basic particles like nuclei and electrons interact leading to the formation of molecules, and molecules interact and change conformations giving rise to chemical reactions. Naturally, the corresponding theoretical methods should also follow this hierarchy. At the bottom level, we need molecular integrals to describe different types of interactions between basic particles. I introduced the automated code engine (ACE) that generates optimized codes for computing integrals on the graphical processing units, and developed several variants of tensor hyper-contraction (THC) approximations. ACE reduces the computational prefactor of integral evaluations whereas THC reduces the formal scaling. On top of the integrals, we then need electronic structure methods to describe the energies and forces for a molecule at any given nuclear configuration; including electron correlation is the key to having an accurate description. Here, I first developed single reference THC-MP2 to capture the dynamic correlations, and then developed multi-reference THC-CASPT2 method to incorporate static correlations simultaneously. These methods were later generalized to THC-MSPT2 to enable descriptions for excited states and conical intersections, both are critical for photochemistry. Finally, given the electronic structure methods, we then need methods to explore the potential energy surfaces. In particular, critical point search methods locate the important configurations (e.g. Franck-Condon point, conical intersections), while molecular dynamics methods generate trajectories describing how the molecules move and interact with each other. By interfacing the electronic structure methods that I developed with the geomeTRIC geometry optimizer and G-AIMS non-adiabatic dynamics framework, a complete toolbox for understanding photochemistry is provided.
Download or read book Electronic Effects in Organic Chemistry written by Barbara Kirchner and published by Springer. This book was released on 2014-10-27 with total page 197 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students
Download or read book Photochemistry of Organic Compounds written by Petr Klán and published by John Wiley & Sons. This book was released on 2009-01-28 with total page 582 pages. Available in PDF, EPUB and Kindle. Book excerpt: Photochemistry of Organic Compounds: From Concepts toPractice provides a hands-on guide demonstrating the underlyingprinciples of photochemistry and, by reference to a range oforganic reaction types, its effective use in the synthesis of neworganic compounds and in various applications. The book presents a complete and methodical approach to thetopic, Working from basic principles, discussing key techniques andstudies of reactive intermediates, and illustrating syntheticphotochemical procedures. Incorporating special topics and case studies covering variousapplications of photochemistry in chemistry, environmentalsciences, biochemistry, physics, medicine, and industry. Providing extensive references to the original literature andto review articles. Concluding with a chapter on retrosynthetic photochemistry,listing key reactions to aid the reader in designing their ownsynthetic pathways. This book will be a valuable source of information andinspiration for postgraduates as well as professionals from a widerange of chemical and natural sciences.
Download or read book Computational Methods in Chemistry written by Springer and published by . This book was released on 2014-01-15 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Photochemistry and Photophysics written by Vincenzo Balzani and published by John Wiley & Sons. This book was released on 2024-11-19 with total page 566 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
