Download or read book Theoretical Chemistry for Electronic Excited States written by Michael A. Robb and published by Royal Society of Chemistry. This book was released on 2018-03-02 with total page 226 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the past few decades, experimental excited state chemistry has moved into the femtochemistry era, where time resolution is short enough to resolve nuclear dynamics. Recently, the time resolution has moved into the attosecond domain, where electronic motion can be resolved as well. Theoretical chemistry is becoming an essential partner in such experimental investigations; not only for the interpretation of the results, but also to suggest new experiments. This book provides an integrated approach. The three main facets of excited-state theoretical chemistry; namely, mechanism, which focuses on the shape of the potential surface along the reaction path, multi-state electronic structure methods, and non-adiabatic dynamics, have been brought together into one volume. Theoretical Chemistry for Electronic Excited States is aimed at both theorists and experimentalists, involved in theoretical chemistry, in electronic structure computations and in molecular dynamics. The book is intended to provide both with the knowledge and understanding to discover ways to work together more closely through its unified approach.
Download or read book Quantum Chemistry and Dynamics of Excited States written by Leticia González and published by John Wiley & Sons. This book was released on 2021-02-01 with total page 52 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 excellent reference for both researchers and students, Excited States provides essential knowledge on quantum chemistry, an in-depth overview of the latest developments, and theoretical techniques around the properties and nonadiabatic dynamics of chemical systems. Readers will learn: ● Essential theoretical techniques to describe the properties and dynamics of chemical systems ● Electronic Structure methods for stationary calculations ● Methods for electronic excited states from both a quantum chemical and time-dependent point of view ● A breakdown of the most recent developments in the past 30 years For those searching for a better understanding of excited states as they relate to chemistry, biochemistry, industrial chemistry, and beyond, Quantum Chemistry and Dynamics of Excited States provides a solid education in the necessary foundations and important theories of excited states in photochemistry and ultrafast phenomena.
Download or read book Excited States in Quantum Chemistry written by Cleanthes A. Nicolaides and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 572 pages. Available in PDF, EPUB and Kindle. Book excerpt: It is undoubtedly true that much of the progress in the quant~m theory of matter is due to the remarkable success of the independent particle model (IPM)--especially in describing ground states. However, the accurate experimental results of the last 10 years or so, on a variety of spectroscopic phenomena and chemical processes which involve the Excited State, and the related failure of the IPM to reproduce accurately--in many cases, even qualitatively--the observed data, have sent to theorists a clear message: There is need to create and/or apply general and useful approaches to the many-electron problem of the excited state which go beyond the IPM, treat electron correlation and relativity and explain or predict all relevant physical or chemical information with consistent accuracy. This book contains articles devoted mainly to some of the most important new developments in Quantum Chemistry concerning the theoretical foundations and the computational implementation of many-body approaches to the quantitative and detailed under standing of the electronic excited states of atoms, molecules and solids. Furthermore, it contains experimental and pheno menological articles on Photoelectron and Auger spectroscopy, Lifetime measurements and Organic Photochemistry. In combination or individually, these articles constitute a good description of some current theoretical and experimental work on the electronic structure and spectroscopy of atoms, molecules, polymers, surfaces, metal oxides and amorphous solids.
Download or read book Excited States and Photochemistry of Organic Molecules written by Martin Klessinger and published by VCH Publishers. This book was released on 1995 with total page 576 pages. Available in PDF, EPUB and Kindle. Book excerpt: A significantly updated translation of Lichtabsorption und Photochemie Organischer Molekule, published by VCH in 1989. A graduate textbook that provides a qualitative description of electronic excitation in organic molecules and of the associated spectroscopy, photophysics, and photochemistry. The treatment is non- mathematical and emphasizes the use of simple qualitative models for developing an intuitive feeling for the course of photophysical and photochemical processes in terms of potential energy hypersurfaces. Special attention is paid to recent developments, particularly to the role of conical intersections. Annotation copyright by Book News, Inc., Portland, OR
Download or read book Chemical and Biological Generation of Excited States written by Waldermar Adam and published by Elsevier. This book was released on 2012-12-02 with total page 401 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical and Biological Generation of Excited States discusses major aspects of chemical and biological generation of electronic excitation. This book is organized into 11 chapters that focus on both chemi- and bioenergized processes. This book first discusses some of the fundamental aspects of the description of excited state behavior in condensed media. It then examines the field of gas-phase dioxetane chemiluminescence both by itself and in relation to solution-phase studies. The presented analysis is based on statistical mechanics and supported by a very simple limiting case calculation. Chapter 4 describes the state-of-the-art of how excitation yields are determined experimentally in chemienergized processes. This is followed by a discussion on activation parameters and stability trends, focusing on solution-phase data. Chapters 6 and 7 examine solution-phase chemiluminescence resulting from high-energy electron-transfer reaction, often involving aromatic radical ions, and the mechanism of excitation step. The next chapters cover the generation of electronic excited states in bioluminescence and the evaluation of luminescent oxidation mechanisms using oxygen tracers. The chapters also explain the formation of electronically excited products in dark biological processes and the mechanism of chemiexcitation as it relates to redox metabolism. Specific examples of biological oxygenation reactions yielding luminescence are also presented. Furthermore, this book discusses the concept and applicability of chemiluminigenic probing for the quantification and differentiation of oxygenation activities in mammalian phagocytes. The concluding chapter is devoted to the possible formation of singlet oxygen in various systems and processes that mimic singlet oxygen reactions. The book intends to attract young scientists as well as established research workers to broaden the horizons of this rapidly growing and potentially very important field.
Download or read book Density Functional Methods for Excited States written by Nicolas Ferré and published by Springer. This book was released on 2015-08-26 with total page 481 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 The Excited State in Chemical Physics Volume 28 written by J. W. McGowan and published by John Wiley & Sons. This book was released on 2009-09-08 with total page 506 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.
Download or read book Theoretical Chemistry for Electronic Excited States written by Michael A Robb and published by Royal Society of Chemistry. This book was released on 2018-03-02 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the past few decades, experimental excited state chemistry has moved into the femtochemistry era, where time resolution is short enough to resolve nuclear dynamics. Recently, the time resolution has moved into the attosecond domain, where electronic motion can be resolved as well. Theoretical chemistry is becoming an essential partner in such experimental investigations; not only for the interpretation of the results, but also to suggest new experiments. This book provides an integrated approach. The three main facets of excited-state theoretical chemistry; namely, mechanism, which focuses on the shape of the potential surface along the reaction path, multi-state electronic structure methods, and non-adiabatic dynamics, have been brought together into one volume. Theoretical Chemistry for Electronic Excited States is aimed at both theorists and experimentalists, involved in theoretical chemistry, in electronic structure computations and in molecular dynamics. The book will provide both with the knowledge and understanding to discover ways to work together more closely through its unified approach.
Download or read book Excited State Lifetime Measurements written by J Demas and published by Elsevier. This book was released on 2012-12-02 with total page 289 pages. Available in PDF, EPUB and Kindle. Book excerpt: Excited State Lifetime Measurements attempts to assist in clarifying and unifying the many characteristics and definitions of excited state lifetime measurements. The contents of this book are derived from a series of lectures presented to a research group in the University of New Mexico in 1967. The relevance as well as the methods and measurements of data treatment of excited state lifetimes are featured in this book. The first three chapters provide a brief discussion on concepts and applications of excited state lifetime measurements. Experimental methods and systems are also introduced in these chapters. Chapter 4 delves into more complex systems (serial decay kinetics and resonance energy transfer) while Chapter 5 focuses on the method of least squares fitting, its uses, and misuses. Chapters 6 to 8 mainly discuss the convolution integral and its different applications while Chapter 9 gives a more detailed presentation of instrumentation. The last two chapters discuss special errors and approaches to new methodologies regarding the study of the excited state lifetime measurements. The book will be useful to students and scientists including analytical chemists, photochemists, photobiologists, spectroscopists, and physicists.
Download or read book Multiconfigurational Quantum Chemistry written by Björn O. Roos and published by John Wiley & Sons. This book was released on 2016-08-08 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Lasers and Excited States of Rare Earths written by Renata Reisfeld and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 235 pages. Available in PDF, EPUB and Kindle. Book excerpt: The possibility of stimulated light emission was discussed by Einstein in 1917, eight years before the quantum-mechanical description of energy levels of many-electron systems. Though it is imperative to use samples having optical properties greatly different from the stan dard continuous spectrum of opaque objects ("black body" radia tion) it is not always necessary to restrict the study to monatomic entities. Thus, spectral lines can be obtained (in absorption and in emission) from lanthanide compounds, containing from one to thir teen 4f electrons going from trivalent cerium to ytterbium, that are nearly as sharp as the ones from gaseous atoms. However, the presence of adjacent atoms modifies the simple picture of an isolated electron configuration, and in particular, it is possible to pump excited levels efficiently by energy transfer from species with intense absorption bands, such as the inter-shell transitions of other lanthanides and of thallium(I), lead(II) and bismuth(III) or the electron transfer bands of the uranyl ion or other complexes. On the other hand, it is possible to diminuish the mUlti-phonon relaxation (competing with sharp line luminescence) by selecting vitreous or crystalline materials with low phonon energies. Obviously, one cannot circumvent the conservation of energy by lasers, but they may have unprecedented consequences for the future by allowing nuclear fusion of light elements, effects of non-linear optics and time-resolved spectroscopy, besides the more conventional applications of coherent light beams with negligible angular extension.
Download or read book Excited States in Quantum Chemistry written by D.R. Beck and published by Springer. This book was released on 2011-10-13 with total page 585 pages. Available in PDF, EPUB and Kindle. Book excerpt: It is undoubtedly true that much of the progress in the quant~m theory of matter is due to the remarkable success of the independent particle model (IPM)--especially in describing ground states. However, the accurate experimental results of the last 10 years or so, on a variety of spectroscopic phenomena and chemical processes which involve the Excited State, and the related failure of the IPM to reproduce accurately--in many cases, even qualitatively--the observed data, have sent to theorists a clear message: There is need to create and/or apply general and useful approaches to the many-electron problem of the excited state which go beyond the IPM, treat electron correlation and relativity and explain or predict all relevant physical or chemical information with consistent accuracy. This book contains articles devoted mainly to some of the most important new developments in Quantum Chemistry concerning the theoretical foundations and the computational implementation of many-body approaches to the quantitative and detailed under standing of the electronic excited states of atoms, molecules and solids. Furthermore, it contains experimental and pheno menological articles on Photoelectron and Auger spectroscopy, Lifetime measurements and Organic Photochemistry. In combination or individually, these articles constitute a good description of some current theoretical and experimental work on the electronic structure and spectroscopy of atoms, molecules, polymers, surfaces, metal oxides and amorphous solids.
Download or read book Excited States in Organic Chemistry written by J. A. Barltrop and published by John Wiley & Sons. This book was released on 1975 with total page 420 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Excited States in Organic Chemistry and Biochemistry written by Bernard Pullman and published by Springer Science & Business Media. This book was released on 1977-10-31 with total page 470 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the 10th Jerusalem Symposium on Quantum Chemistry and Biochemistry held in Jerusalem, Israel, March 28-31, 1977
Download or read book Chemistry and Light written by Paul Suppan and published by Royal Society of Chemistry. This book was released on 1994 with total page 323 pages. Available in PDF, EPUB and Kindle. Book excerpt: To provide a concise introductory overview of the various light-induced processes in physics, chemistry, biology, as well as in medicine and industry.
Download or read book Excited State in Chemical Physics Volume 45 Part 2 written by J. W. McGowan and published by John Wiley & Sons. This book was released on 2009-09-08 with total page 624 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.
Download or read book Rearrangements in Ground and Excited States written by Paul de Mayo and published by Academic Press. This book was released on 2013-10-22 with total page 497 pages. Available in PDF, EPUB and Kindle. Book excerpt: Rearrangement in ground and excited states, Volume 1 covers essays on the rearrangements of carbocations; gas-phase ion rearrangements; and rearrangements of carbenes and nitrenes. The book also includes essays on the free-radical rearrangements; hypothetical biradical pathways in thermal unimolecular rearrangements; and rearrangements in carbanions. Chemists and people involved in the study of rearrangements will find the book invaluable.
