Computational Methods in Photochemistry

Computational Methods in Photochemistry
Author: Andrei G. Kutateladze
Publisher: CRC Press
Total Pages: 530
Release: 2005-05-05
Genre: Science
ISBN: 1420030582

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

Computational Photochemistry
Author: Massimo Olivucci
Publisher: Elsevier
Total Pages: 369
Release: 2005-10-20
Genre: Science
ISBN: 0080455190

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

Computational Methods in Photochemistry

Computational Methods in Photochemistry
Author: Andrei G. Kutateladze
Publisher: CRC Press
Total Pages: 536
Release: 2005
Genre: Science
ISBN: 9780824753450

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.

Theoretical and Computational Photochemistry

Theoretical and Computational Photochemistry
Author: García Iriepa Cristina
Publisher: Elsevier
Total Pages: 520
Release: 2023-04-21
Genre: Business & Economics
ISBN: 0323972225

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

Photochemistry
Author: Maurizio Persico
Publisher: Springer
Total Pages: 267
Release: 2018-05-04
Genre: Science
ISBN: 3319899724

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

Photochemistry
Author: Karen J. Maes
Publisher:
Total Pages: 0
Release: 2011
Genre: Photochemistry
ISBN: 9781612095066

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.

Photochemistry and Photophysics

Photochemistry and Photophysics
Author: Vincenzo Balzani
Publisher: John Wiley & Sons
Total Pages: 516
Release: 2014-06-09
Genre: Science
ISBN: 3527334793

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.

Chiral Photochemistry

Chiral Photochemistry
Author: Yoshihisa Inoue
Publisher: CRC Press
Total Pages: 704
Release: 2004-08-30
Genre: Medical
ISBN: 0203026349

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 of Organic Molecules in Isotropic and Anisotropic Media

Photochemistry of Organic Molecules in Isotropic and Anisotropic Media
Author: V Ramamurthy
Publisher: CRC Press
Total Pages: 432
Release: 2019-08-30
Genre:
ISBN: 9780367395513

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.

Photochemical Reactors

Photochemical Reactors
Author: Ernest R. Blatchley, III
Publisher: John Wiley & Sons
Total Pages: 612
Release: 2022-11-03
Genre: Science
ISBN: 1119871352

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.