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Multiconfigurational Quantum Chemistry
The first book to aid in the understanding of multiconfigurational quantum chemistry, Multiconfigurational Quantum Chemistry demystifies a subject that has historically been considered difficult to learn. Accessible to any reader with a background in quantum mechanics and quantum chemistry, the book contains illustrative examples showing how these methods can be used in various areas of chemistry, such as chemical reactions in ground and excited states, transition metal and other heavy element systems. The authors detail the drawbacks and limitations of DFT and coupled-cluster based methods and offer alternative, wavefunction-based methods more suitable for smaller molecules.
Quantum Chemistry and Dynamics of Excited States
An introduction to the rapidly evolving methodology of electronic excited states For academic researchers, postdocs, graduate and undergraduate students, Quantum Chemistry and Dynamics of Excited States: Methods and Applications reports the most updated and accurate theoretical techniques to treat electronic excited states. From methods to deal with stationary calculations through time-dependent simulations of molecular systems, this book serves as a guide for beginners in the field and knowledge seekers alike. Taking into account the most recent theory developments and representative applications, it also covers the often-overlooked gap between theoretical and computational chemistry. An ex...
Photochemistry
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 system...
Photochemistry Volume 48
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 system...
Heterogeneous Gold Catalysts and Catalysis
Once considered an inert element, gold has recently gained attention as a catalyst. With hundreds of papers being published each year, this book presents a comprehensive review of this rapidly-evolving field, with contributions by leading experts across the globe. Going through the chapters citing the primary literature, the reader will gain a thorough background to the use of gold in catalysis, as well as the latest methods for the preparation of gold catalysts. Other chapters demonstrate the characterisation and modelling of gold-catalysed reactions, with consideration given to both the fundamentals and commercial applications of this emerging group of catalysts.Written to be accessible by postgraduates and newcomers to the field, this book will also benefit experienced researchers and therefore be an essential reference in the laboratory.
Parallel Processing, 1980 to 2020
This historical survey of parallel processing from 1980 to 2020 is a follow-up to the authors’ 1981 Tutorial on Parallel Processing, which covered the state of the art in hardware, programming languages, and applications. Here, we cover the evolution of the field since 1980 in: parallel computers, ranging from the Cyber 205 to clusters now approaching an exaflop, to multicore microprocessors, and Graphic Processing Units (GPUs) in commodity personal devices; parallel programming notations such as OpenMP, MPI message passing, and CUDA streaming notation; and seven parallel applications, such as finite element analysis and computer vision. Some things that looked like they would be major tre...
Theoretical and Computational Photochemistry
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 experiment...
Photochemistry
Compiled by teams of leading authorities this Specialist Periodical Report on Photochemistry aims to provide an annual review of photo-induced processes.
Photochemistry
Providing critical analysis of emerging and well-established topics, this book is essential reading for anyone wanting to keep up to date with the literature on photochemistry and its applications. Volume 49 combines reviews on the latest advances in photochemical research with specific highlights in the field. The first section includes periodical reports of the recent literature on physical and inorganic aspects, including reviews of the molecules employed as dyes in art, light induced reactions in cryogenic matrices, photobiological systems studied by time-resolved infrared spectroscopy and photophysics, and photochemistry of transition metal complexes. This selection is completed by revi...
Photochemistry
Reviewing photo-induced processes that have relevance to a wide-ranging number of academic and commercial disciplines and interests covering chemistry, physics, biology and technology, this series is essential reading for anyone wishing to keep abreast of the current literature. Now in its 42nd volume, and with contributions from across the globe, this series continues to present an accessible digest of current opinion and research in all aspects of photochemistry. Topics covered in this volume include the state of the art in computational photochemistry, advances in dye sensitized photopolymerization processes, photoclick chemistry, and continuous flow photochemical reactions. This Specialist Periodical Report presents critical and comprehensive reviews of the last 12 months of the primary literature (drawing on 100's of citations) and is an essential resource for anyone working at the cutting edge of photochemistry and a gateway to newcomers in the field.
