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| excited state in chemistry: Quantum Chemistry and Dynamics of Excited States Leticia González, Roland Lindh, 2021-02-01 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. |
| excited state in chemistry: Excited States in Quantum Chemistry Cleanthes A. Nicolaides, D.R. Beck, 2012-12-06 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. |
| excited state in chemistry: Excited States and Photochemistry of Organic Molecules Martin Klessinger, Josef Michl, 1995 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 |
| excited state in chemistry: Theoretical Chemistry for Electronic Excited States Michael A. Robb, 2018-03-02 This reference is ideal for both theorists and experimentalists working in theoretical chemistry, electronic structure and molecular dynamics |
| excited state in chemistry: Chemical and Biological Generation of Excited States Waldermar Adam, 2012-12-02 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. |
| excited state in chemistry: Density-Functional Methods for Excited States Nicolas Ferré, Michael Filatov, Miquel Huix-Rotllant, 2015-08-26 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 |
| excited state in chemistry: Multiconfigurational Quantum Chemistry Björn O. Roos, Roland Lindh, Per ke Malmqvist, Valera Veryazov, Per-Olof Widmark, 2016-08-08 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. |
| excited state in chemistry: Hydrogen Bonding and Transfer in the Excited State Ke-Li Han, Guang-Jiu Zhao, 2011-03-16 This book gives an extensive description of the state-of-the-art in research on excited-state hydrogen bonding and hydrogen transfer in recent years. Initial chapters present both the experimental and theoretical investigations on the excited-state hydrogen bonding structures and dynamics of many organic and biological chromophores. Following this, several chapters describe the influences of the excited-state hydrogen bonding on various photophysical processes and photochemical reactions, for example: hydrogen bonding effects on fluorescence emission behaviors and photoisomerization; the role of hydrogen bonding in photosynthetic water splitting; photoinduced electron transfer and solvation dynamics in room temperature ionic liquids; and hydrogen bonding barrier crossing dynamics at bio-mimicking surfaces. Finally, the book examines experimental and theoretical studies on the nature and control of excited-state hydrogen transfer in various systems. Hydrogen Bonding and Transfer in the Excited State is an essential overview of this increasingly important field of study, surveying the entire field over 2 volumes, 40 chapters and 1200 pages. It will find a place on the bookshelves of researchers in photochemistry, photobiology, photophysics, physical chemistry and chemical physics. |
| excited state in chemistry: Atmospheric Evolution on Inhabited and Lifeless Worlds David C. Catling, James F. Kasting, 2017-04-13 A comprehensive and authoritative text on the formation and evolution of planetary atmospheres, for graduate-level students and researchers. |
| excited state in chemistry: Lasers and Excited States of Rare Earths Renata Reisfeld, Christian K. Jorgensen, 2012-12-06 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. |
| excited state in chemistry: Nonadiabatic Transition Hiroki Nakamura, 2012 Nonadiabatic transition is a highly multidisciplinary concept and phenomenon, constituting a fundamental mechanism of state and phase changes in various dynamical processes of physics, chemistry and biology, such as molecular dynamics, energy relaxation, chemical reaction, and electron and proton transfer. Control of molecular processes by laser fields is also an example of time-dependent nonadiabatic transition. In this new edition, the original chapters are updated to facilitate enhanced understanding of the concept and applications. Three new chapters OCo comprehension of nonadiabatic chemical dynamics, control of chemical dynamics, and manifestation of molecular functions OCo are also added. |
| excited state in chemistry: Excited States Edward C. Lim, 1974 |
| excited state in chemistry: Monte Carlo Methods In Ab Initio Quantum Chemistry Brian L Hammond, William A Lester, P J Reynolds, 1994-03-29 This book presents the basic theory and application of the Monte Carlo method to the electronic structure of atoms and molecules. It assumes no previous knowledge of the subject, only a knowledge of molecular quantum mechanics at the first-year graduate level. A working knowledge of traditional ab initio quantum chemistry is helpful, but not essential.Some distinguishing features of this book are: |
| excited state in chemistry: Excited States in Organic Chemistry and Biochemistry Bernard Pullman, N. Goldblum, 1977-10-31 Proceedings of the 10th Jerusalem Symposium on Quantum Chemistry and Biochemistry held in Jerusalem, Israel, March 28-31, 1977 |
| excited state in chemistry: Attosecond Molecular Dynamics Marc J J Vrakking, Franck Lepine, 2018-08-31 Attosecond science is a new and rapidly developing research area in which molecular dynamics are studied at the timescale of a few attoseconds. Within the past decade, attosecond pump–probe spectroscopy has emerged as a powerful experimental technique that permits electron dynamics to be followed on their natural timescales. With the development of this technology, physical chemists have been able to observe and control molecular dynamics on attosecond timescales. From these observations it has been suggested that attosecond to few-femtosecond timescale charge migration may induce what has been called “post-Born-Oppenheimer dynamics”, where the nuclei respond to rapidly time-dependent force fields resulting from transient localization of the electrons. These real-time observations have spurred exciting new advances in the theoretical work to both explain and predict these novel dynamics. This book presents an overview of current theoretical work relevant to attosecond science written by theoreticians who are presently at the forefront of its development. It is a valuable reference work for anyone working in the field of attosecond science as well as those studying the subject. |
| excited state in chemistry: Radiation Induced Molecular Phenomena in Nucleic Acids Manoj Shukla, Jerzy Leszczynski, 2008-05-08 Comprehensive theoretical and experimental analysis of UV-radiation and low energy electron induced phenomena in nucleic acid bases (NABs) and base assemblies are presented in this book. NABs are highly photostable; the absorbed energy is dissipated in the form of ultrafast nonradiative decay. This book highlights the possible mechanisms of these phenomena which is important for all living species and discusses technical challenges in exploration of these processes. |
| excited state in chemistry: Excited State in Chemical Physics, Volume 45, Part 2 J. W. McGowan, 2009-09-08 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. |
| excited state in chemistry: The Excited State in Chemical Physics, Volume 28 J. W. McGowan, 2009-09-08 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. |
| excited state in chemistry: Theoretical Chemistry for Electronic Excited States Michael A Robb, 2018-03-02 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. |
| excited state in chemistry: Computational Methods in Photochemistry Andrei G. Kutateladze, 2005-05-05 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 |
| excited state in chemistry: Semiconductor Nanocrystals Alexander L. Efros, D.J. Lockwood, Leonid Tsybeskov, 2013-06-29 A physics book that covers the optical properties of quantum-confined semiconductor nanostructures from both the theoretical and experimental points of view together with technological applications. Topics to be reviewed include quantum confinement effects in semiconductors, optical adsorption and emission properties of group IV, III-V, II-VI semiconductors, deep-etched and self assembled quantum dots, nanoclusters, and laser applications in optoelectronics. |
| excited state in chemistry: Photoactive Semiconductor Nanocrystal Quantum Dots Alberto Credi, 2017-01-20 The series Topics in Current Chemistry Collections presents critical reviews from the journal Topics in Current Chemistry organized in topical volumes. 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. |
| excited state in chemistry: Chemistry 2e Paul Flowers, Richard Langely, William R. Robinson, Klaus Hellmut Theopold, 2019-02-14 Chemistry 2e is designed to meet the scope and sequence requirements of the two-semester general chemistry course. The textbook provides an important opportunity for students to learn the core concepts of chemistry and understand how those concepts apply to their lives and the world around them. The book also includes a number of innovative features, including interactive exercises and real-world applications, designed to enhance student learning. The second edition has been revised to incorporate clearer, more current, and more dynamic explanations, while maintaining the same organization as the first edition. Substantial improvements have been made in the figures, illustrations, and example exercises that support the text narrative. Changes made in Chemistry 2e are described in the preface to help instructors transition to the second edition. |
| excited state in chemistry: Highly Excited Atoms J. P. Connerade, 1998-05-07 An introduction to the physics of highly excited, easily perturbed or interacting atoms. Covers Rydberg states, quantum defect theory, atomic f-values, centrifugal barrier effects, autoionisation, inner shell and double excitation spectra, K-matrix theory, atoms in high laser fields, statistical methods, quantum chaos, and atomic effects in solids. |
| excited state in chemistry: Quantities, Units and Symbols in Physical Chemistry International Union of Pure and Applied Chemistry. Physical and Biophysical Chemistry Division, 2007 Prepared by the IUPAC Physical Chemistry Division this definitive manual, now in its third edition, is designed to improve the exchange of scientific information among the readers in different disciplines and across different nations. This book has been systematically brought up to date and new sections added to reflect the increasing volume of scientific literature and terminology and expressions being used. The Third Edition reflects the experience of the contributors with the previous editions and the comments and feedback have been integrated into this essential resource. This edition has been compiled in machine-readable form and will be available online. |
| excited state in chemistry: Ideas of Quantum Chemistry Lucjan Piela, 2006-11-28 Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. The structure of the book (a TREE-form) emphasizes the logical relationships between various topics, facts and methods. It shows the reader which parts of the text are needed for understanding specific aspects of the subject matter. Interspersed throughout the text are short biographies of key scientists and their contributions to the development of the field.Ideas of Quantum Chemistry has both textbook and reference work aspects. Like a textbook, the material is organized into digestable sections with each chapter following the same structure. It answers frequently asked questions and highlights the most important conclusions and the essential mathematical formulae in the text. In its reference aspects, it has a broader range than traditional quantum chemistry books and reviews virtually all of the pertinent literature. It is useful both for beginners as well as specialists in advanced topics of quantum chemistry. The book is supplemented by an appendix on the Internet.* Presents the widest range of quantum chemical problems covered in one book * Unique structure allows material to be tailored to the specific needs of the reader * Informal language facilitates the understanding of difficult topics |
| excited state in chemistry: A Textbook of Inorganic Chemistry – Volume 1 Mandeep Dalal, 2017-01-01 An advanced-level textbook of inorganic chemistry for the graduate (B.Sc) and postgraduate (M.Sc) students of Indian and foreign universities. This book is a part of four volume series, entitled A Textbook of Inorganic Chemistry – Volume I, II, III, IV. CONTENTS: Chapter 1. Stereochemistry and Bonding in Main Group Compounds: VSEPR theory; dπ -pπ bonds; Bent rule and energetic of hybridization. Chapter 2. Metal-Ligand Equilibria in Solution: Stepwise and overall formation constants and their interactions; Trends in stepwise constants; Factors affecting stability of metal complexes with reference to the nature of metal ion and ligand; Chelate effect and its thermodynamic origin; Determination of binary formation constants by pH-metry and spectrophotometry. Chapter 3. Reaction Mechanism of Transition Metal Complexes – I: Inert and labile complexes; Mechanisms for ligand replacement reactions; Formation of complexes from aquo ions; Ligand displacement reactions in octahedral complexes- acid hydrolysis, base hydrolysis; Racemization of tris chelate complexes; Electrophilic attack on ligands. Chapter 4. Reaction Mechanism of Transition Metal Complexes – II: Mechanism of ligand displacement reactions in square planar complexes; The trans effect; Theories of trans effect; Mechanism of electron transfer reactions – types; outer sphere electron transfer mechanism and inner sphere electron transfer mechanism; Electron exchange. Chapter 5. Isopoly and Heteropoly Acids and Salts: Isopoly and Heteropoly acids and salts of Mo and W: structures of isopoly and heteropoly anions. Chapter 6. Crystal Structures: Structures of some binary and ternary compounds such as fluorite, antifluorite, rutile, antirutile, crystobalite, layer lattices- CdI2, BiI3; ReO3, Mn2O3, corundum, pervoskite, Ilmenite and Calcite. Chapter 7. Metal-Ligand Bonding: Limitation of crystal field theory; Molecular orbital theory: octahedral, tetrahedral or square planar complexes; π-bonding and molecular orbital theory. Chapter 8. Electronic Spectra of Transition Metal Complexes: Spectroscopic ground states, Correlation and spin-orbit coupling in free ions for Ist series of transition metals; Orgel and Tanabe-Sugano diagrams for transition metal complexes (d1 – d9 states); Calculation of Dq, B and β parameters; Effect of distortion on the d-orbital energy levels; Structural evidence from electronic spectrum; John-Tellar effect; Spectrochemical and nephalauxetic series; Charge transfer spectra; Electronic spectra of molecular addition compounds. Chapter 9. Magantic Properties of Transition Metal Complexes: Elementary theory of magneto - chemistry; Guoy’s method for determination of magnetic susceptibility; Calculation of magnetic moments; Magnetic properties of free ions; Orbital contribution, effect of ligand-field; Application of magneto-chemistry in structure determination; Magnetic exchange coupling and spin state cross over. Chapter 10. Metal Clusters: Structure and bonding in higher boranes; Wade’s rules; Carboranes; Metal carbonyl clusters - low nuclearity carbonyl clusters; Total electron count (TEC). Chapter 11. Metal-π Complexes: Metal carbonyls: structure and bonding; Vibrational spectra of metal carbonyls for bonding and structure elucidation; Important reactions of metal carbonyls; Preparation, bonding, structure and important reactions of transition metal nitrosyl, dinitrogen and dioxygen complexes; Tertiary phosphine as ligand. |
| excited state in chemistry: Time-Resolved Fluorescence Spectroscopy in Biochemistry and Biology R. Cundall, 2013-11-11 At the time that the editors conceived the idea of trying to organize the meeting on which the contents of this volume are based and which became, in March 1980, a NATO Advanced Study Institute, the techniques of time-resolved fluorescence spectroscopy, in both the nanosecond and sub-nanosecond time-domains, might reasonably have been said to be coming of age, both in their execution and in the analysis and interpretation of the results obtained. These techniques, then as now, comprised mainly a number of pulse methods using laser, flash-lamp or, most recently, synchrotron radiation. In addition, significant developments in the more classical phase approach had also rendered that method popular, utilizing either modulation of an otherwise continuous source or, again recently, the ultra-rapid pulse rate attainable with a synchrotron source. In general terms, time-resolved fluorescence studies are capable, under appropriate conditions, of supplying direct kinetic information on both photophysics and various aspects of molecular, macromolecular and supramolecular structure and dynamics. The nanosecond and sub-nanosecond time-scales directly probed render these techniques particularly appropriate in studying relaxation and fluctuation processes in macromolecules, particularly biopolymers (e. g. proteins, nucleic acids), in supramolecular assemblies such as cell membranes, and in a variety of relatively simpler model systems. |
| excited state in chemistry: Femtochemistry and Femtobiology Abderrazzak Douhal, Jesus Santamaria, 2002 This book contains important contributions from top international scientists on the-state-of-the-art of femtochemistry and femtobiology at the beginning of the new millennium. It consists of reviews and papers on ultrafast dynamics in molecular science.The coverage of topics highlights several important features of molecular science from the viewpoint of structure (space domain) and dynamics (time domain). First of all, the book presents the latest developments, such as experimental techniques for understanding ultrafast processes in gas, condensed and complex systems, including biological molecules, surfaces and nanostructures. At the same time it stresses the different ways to control the rates and pathways of reactive events in chemistry and biology. Particular emphasis is given to biological processes as an area where femtodynamics is becoming very useful for resolving the structural dynamics from techniques such as electron diffraction, and X-ray and IR spectroscopy. Finally, the latest developments in quantum control (in both theory and experiment) and the experimental pulse-shaping techniques are described. |
| excited state in chemistry: Reviews in Computational Chemistry, Volume 26 Kenny B. Lipkowitz, Thomas R. Cundari, Donald B. Boyd, 2008-11-19 Computational chemistry is increasingly used in conjunction with organic, inorganic, medicinal, biological, physical, and analytical chemistry, biotechnology, materials science, and chemical physics. This series is essential in keeping those individuals involved in these fields abreast of recent developments in computational chemistry. |
| excited state in chemistry: Discovering the Brain National Academy of Sciences, Institute of Medicine, Sandra Ackerman, 1992-01-01 The brain ... There is no other part of the human anatomy that is so intriguing. How does it develop and function and why does it sometimes, tragically, degenerate? The answers are complex. In Discovering the Brain, science writer Sandra Ackerman cuts through the complexity to bring this vital topic to the public. The 1990s were declared the Decade of the Brain by former President Bush, and the neuroscience community responded with a host of new investigations and conferences. Discovering the Brain is based on the Institute of Medicine conference, Decade of the Brain: Frontiers in Neuroscience and Brain Research. Discovering the Brain is a field guide to the brainâ€an easy-to-read discussion of the brain's physical structure and where functions such as language and music appreciation lie. Ackerman examines: How electrical and chemical signals are conveyed in the brain. The mechanisms by which we see, hear, think, and pay attentionâ€and how a gut feeling actually originates in the brain. Learning and memory retention, including parallels to computer memory and what they might tell us about our own mental capacity. Development of the brain throughout the life span, with a look at the aging brain. Ackerman provides an enlightening chapter on the connection between the brain's physical condition and various mental disorders and notes what progress can realistically be made toward the prevention and treatment of stroke and other ailments. Finally, she explores the potential for major advances during the Decade of the Brain, with a look at medical imaging techniquesâ€what various technologies can and cannot tell usâ€and how the public and private sectors can contribute to continued advances in neuroscience. This highly readable volume will provide the public and policymakersâ€and many scientists as wellâ€with a helpful guide to understanding the many discoveries that are sure to be announced throughout the Decade of the Brain. |
| excited state in chemistry: Excited States in Chemistry and Biology Cyril Reid, 1957 |
| excited state in chemistry: Luminescence in Chemistry Edmund John Bowen, 1968 |
| excited state in chemistry: Density Functional Theory II R.F. Nalewajski, 2010-12-01 |
| excited state in chemistry: The Fragment Molecular Orbital Method Dmitri Fedorov, Kazuo Kitaura, 2009-05-14 Answering the need to facilitate quantum-chemical calculations of systems with thousands of atoms, Kazuo Kitaura and his coworkers developed the Fragment Molecular Orbital (FMO) method in 1999. Today, the FMO method can be applied to the study of whole proteins and protein-ligand interactions, and is extremely effective in calculating the propertie |
| excited state in chemistry: Molecular Electronic-Structure Theory Trygve Helgaker, Poul Jorgensen, Jeppe Olsen, 2014-08-11 Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods. This is the first comprehensive, up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include: * Second quantization with spin adaptation * Gaussian basis sets and molecular-integral evaluation * Hartree-Fock theory * Configuration-interaction and multi-configurational self-consistent theory * Coupled-cluster theory for ground and excited states * Perturbation theory for single- and multi-configurational states * Linear-scaling techniques and the fast multipole method * Explicity correlated wave functions * Basis-set convergence and extrapolation * Calibration and benchmarking of computational methods, with applications to moelcular equilibrium structure, atomization energies and reaction enthalpies. Molecular Electronic-Structure Theory makes extensive use of numerical examples, designed to illustrate the strengths and weaknesses of each method treated. In addition, statements about the usefulness and deficiencies of the various methods are supported by actual examples, not just model calculations. Problems and exercises are provided at the end of each chapter, complete with hints and solutions. This book is a must for researchers in the field of quantum chemistry as well as for nonspecialists who wish to acquire a thorough understanding of ab initio molecular electronic-structure theory and its applications to problems in chemistry and physics. It is also highly recommended for the teaching of graduates and advanced undergraduates. |
| excited state in chemistry: Nature of the Chemical Bond William A. Goddard, 1986 |
| excited state in chemistry: Recent Progress in Coupled Cluster Methods Petr Cársky, Josef Paldus, Jirí Pittner, 2010-07-03 I feel very honored that I have been asked to write a Foreword to this book. The subject of the book – “Coupled cluster theory” – has been around for about half a century. The basic theory and explicit equations for closed-shell ground states were formulated before 1970. At the beginning of the seventies the rst ab initio calcu- tion were carried out. At that time speed and memory of computers were very limited compared to today’s standards. Moreover, the size of one-electron bases employed was small, so that it was only possible to achieve an orientation in methodical aspects rather than to generate new signi cant results. Extensive use of the coupled-cluster method started at the beginning of the eighties. With the help of more powerful computers the results of coupled-cluster approaches started to yield more and more interesting results of relevance to the interpretation of experimental data. New ideas in methodology kept appearing and computer codes became more and more ef cient. This exciting situation continues to this very day. Remarkably enough, even the - quired equations can now be generated by a computer with the help of symbolic languages. The size of this monograph and the rich variety of articles it contains attests to the usefulness and viability of the couple-cluster formalism for the h- dling of many-electron correlation effects. This represents a vivid testimony of a tremendous work that has been accomplished in coupled-cluster methodology and its exploitation. |
| excited state in chemistry: Radiationless Transitions Sheng Hsien Lin, 1980 |
| excited state in chemistry: Excited States in Organic Chemistry J. A. Barltrop, John D. Coyle, 1975 |
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Excited refers to a state of enthusiasm, eagerness, or high energy. It often implies a heightened sense of anticipation or joy towards a specific event, experience, or topic. In physics, it also …
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excited - Wiktionary, the free dictionary
5 days ago · excited (comparative more excited, superlative most excited) Having great enthusiasm, passion and energy. Synonym: enthusiastic
