Download or read book Vibronic Coupling Density written by Tatsuhisa Kato and published by Springer Nature. This book was released on 2021-06-18 with total page 122 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book introduces vibronic coupling density and vibronic coupling constant analyses as a way to understand molecular structure and chemical reactions. After quantum study, the behavior of electrons circulating around nuclei led to the principal concept that underlies all explanations in chemistry. Many textbooks have given plausible explanations to clarify molecular structure—for example, the bond elongation of ethylene under anionization and the nonplanar structure of ammonia. Frontier molecular orbital concepts were proposed to visualize the path of chemical reactions, and conventional explanations gave students a familiarity with molecular structures in terms of the electronic state. By contrast, this book offers a more rational and more convincing path to understanding. It starts from the ab initio molecular Hamiltonian and provides systematic, rational approaches to comprehend chemical phenomena. In this way, the book leads the reader to a grasp of the quantitative evaluation of the force applied under the molecular deformation process. As well, guidelines are offered for integrating the traditional “hand-waving” approach of chemistry with more rational and general VCD and VCC alternatives along with the outlook for newly functionalized chemical systems.
Download or read book Vibronic Coupling Density written by Tatsuhisa Kato and published by Springer. This book was released on 2021-06-19 with total page 113 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book introduces vibronic coupling density and vibronic coupling constant analyses as a way to understand molecular structure and chemical reactions. After quantum study, the behavior of electrons circulating around nuclei led to the principal concept that underlies all explanations in chemistry. Many textbooks have given plausible explanations to clarify molecular structure—for example, the bond elongation of ethylene under anionization and the nonplanar structure of ammonia. Frontier molecular orbital concepts were proposed to visualize the path of chemical reactions, and conventional explanations gave students a familiarity with molecular structures in terms of the electronic state. By contrast, this book offers a more rational and more convincing path to understanding. It starts from the ab initio molecular Hamiltonian and provides systematic, rational approaches to comprehend chemical phenomena. In this way, the book leads the reader to a grasp of the quantitative evaluation of the force applied under the molecular deformation process. As well, guidelines are offered for integrating the traditional “hand-waving” approach of chemistry with more rational and general VCD and VCC alternatives along with the outlook for newly functionalized chemical systems.
Download or read book The Jahn Teller Effect written by Horst Köppel and published by Springer Science & Business Media. This book was released on 2009-12-08 with total page 912 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Jahn-Teller effect continues to be a paradigm for structural instabilities and molecular dynamical processes. This volume provides a survey of the current Jahn-Teller interactions at the interface of quantum chemistry and condensed matter physics.
Download or read book Vibronic Interactions in Molecules and Crystals written by Isaac B. Bersuker and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 434 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vibronic interaction effects constitute a new field of investigation in the physics and chemistry of molecules and crystals that combines all the phenomena and laws originating from the mixing of different electronic states by nuclear displacements. This field is based on a new concept which goes beyond the separate descriptions of electronic and nuclear motions in the adiabatic approximation. Publications on this topic often appear under the title of the lahn-Thller effect, although the area of application of the new approach is much wider: the term vibronic interaction seems to be more appropriate to the field as a whole. The present understanding of the subject was reached only recently, during the last quarter of a century. As a result of intensive development of the theory and experiment, it was shown that the nonadiabatic mixing of close-in-energy elec tronic states under nuclear displacements and the back influence of the modified electronic structure on the nuclear dynamics result in a series of new effects in the properties of molecules and crystals. The applications of the theory of vibronic in of spectroscopy [including visible, ultraviolet, in teractions cover the full range frared, Raman, EPR, NMR, nuclear quadrupole resonance (NQR), nuclear gam ma resonance (NOR), photoelectron and x-ray spectroscopy], polarizability and magnetic susceptibility, scattering phenomena, ideal and impurity crystal physics and chemistry (including structural as well as ferroelectric phase transitions), stereochemistry and instability of molecular (including biological) systems, mechanisms of chemical reactions and catalysis.
Download or read book Photosynergetic Responses in Molecules and Molecular Aggregates written by Hiroshi Miyasaka and published by Springer Nature. This book was released on 2020-09-05 with total page 586 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book compiles the accomplishments of the recent research project on photochemistry “Photosynergetics”, supported by the Ministry of Education, Culture, Sports, Science and Technology of Japan, aiming to develop and elucidate new methods and molecules leading to advanced utilization of photo-energies. Topics include photochemical responses induced by multiple excitation, multiphoton absorption, strong modulation of electronic states, developments of new photofunctional molecules, mesoscopic actuations induced by photoexcitation, and novel photoresponses in molecules and molecular assemblies. The authors stress that these approaches based on the synergetic interaction among many photons and many molecules enable the expansion of the accessibility to specific electronic states. As well, they explain how the development of reaction sequences and molecules/molecular assemblies ensure “additivity” and “integration” without loss of the photon energy, leading to new photoresponsive assemblies in meso- and macroscopic scales.
Download or read book Advances in Photochemistry written by James N. Pitts and published by John Wiley & Sons. This book was released on 2009-09-24 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt: Setting the pace for progress and innovation . . . "[Provides] a wealth of information on frontier photochemistry . . . could easily serve as a definitive source of background information for future researchers." —Journal of the American Chemical Society "The overall quality of the series and the timeliness of selections and authors warrants continuation of the series by any library wishing to maintain a first-rate reference series to the literature." —Physics Today ADVANCES IN PHOTOCHEMISTRY More than a simple survey of the current literature, Advances in Photochemistry offers critical evaluations written by internationally recognized experts. These pioneering scientists offer unique and varied points of view of the existing data. Their articles are challenging as well as provocative and are intended to stimulate discussion, promote further research, and encourage new developments in the field.
Download or read book Issues in Electronics Research and Application 2011 Edition written by and published by ScholarlyEditions. This book was released on 2012-01-09 with total page 1976 pages. Available in PDF, EPUB and Kindle. Book excerpt: Issues in Electronics Research and Application: 2011 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Electronics Research and Application. The editors have built Issues in Electronics Research and Application: 2011 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Electronics Research and Application in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Issues in Electronics Research and Application: 2011 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.
Download or read book Vibrational Optical Activity written by Laurence A. Nafie and published by John Wiley & Sons. This book was released on 2011-07-12 with total page 373 pages. Available in PDF, EPUB and Kindle. Book excerpt: This unique book stands as the only comprehensive introduction to vibrational optical activity (VOA) and is the first single book that serves as a complete reference for this relatively new, but increasingly important area of molecular spectroscopy. Key features: A single-source reference on this topic that introduces, describes the background and foundation of this area of spectroscopy. Serves as a guide on how to use it to carry out applications with relevant problem solving. Depth and breadth of the subject is presented in a logical, complete and progressive fashion. Although intended as an introductory text, this book provides in depth coverage of this topic relevant to both students and professionals by taking the reader from basic theory through to practical and instrumental approaches.
Download or read book Two Dimensional Optical Spectroscopy written by Minhaeng Cho and published by CRC Press. This book was released on 2009-06-16 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: Two-Dimensional Optical Spectroscopy discusses the principles and applications of newly emerging two-dimensional vibrational and optical spectroscopy techniques. It provides a detailed account of basic theory required for an understanding of two-dimensional vibrational and electronic spectroscopy. It also bridges the gap between the formal developm
Download or read book Applications of Quantum Dynamics in Chemistry written by Fabien Gatti and published by Springer. This book was released on 2017-09-05 with total page 437 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explains the usage and application of Molecular Quantum Dynamics, the methodology where both the electrons and the nuclei in a molecule are treated with quantum mechanical calculations. This volume of Lecture Notes in Chemistry addresses graduate students and postdocs in the field of theoretical chemistry, as well as postgraduate students, researchers and teachers from neighboring fields, such as quantum physics, biochemistry, biophysics, or anyone else who is interested in this rising method in theoretical chemistry, and who wants to gain experience in the opportunities it can offer. It can also be useful for teachers interested in illustrative examples of time-dependent quantum mechanics as animations of realistic wave packets have been designed to assist in visualization. Assuming a basic knowledge about quantum mechanics, the authors link their explanations to recent experimental investigations where Molecular Quantum Dynamics proved successful and necessary for the understanding of the experimental results. Examples including reactive scattering, photochemistry, tunneling, femto- and attosecond chemistry and spectroscopy, cold chemistry or crossed-beam experiments illustrate the power of the method. The book restricts complicated formalism to the necessary and in a self-contained and clearly explained way, offering the reader an introduction to, and instructions for, practical exercises. Continuative explanation and math are optionally supplemented for the interested reader. The reader learns how to apply example simulations with the MCTDH program package (Multi Configuration Time Dependent Hartree calculations). Readers can thus obtain the tools to run their own simulations and apply them to their problems. Selected scripts and program code from the examples are made available as supplementary material. This book bridges the gap between the existing textbooks on fundamental theoretical chemistry and research monographs focusing on sophisticated applications. It is a must-read for everyone who wants to gain a sound understanding of Molecular Quantum Dynamics simulations and to obtain basic experience in running their own simulations.
Download or read book Optical Properties of Solids written by Anthony Mark Fox and published by Oxford University Press, USA. This book was released on 2001 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book gives an introduction to the optical properties of solids, including many new topics that have not been previously covered in other solid state texts at this level. The fundamental principles of absorption, reflection, luminescence and light scattering are discussed for a wide range of materials, including crystalline insulators and semiconductors, glasses, metals, and molecular materials. Classical and quantum models are used where appropriate along with recent experimental data. Examples include semiconductor quantum wells, organic semiconductors, vibronic solid state lasers, and nonlinear optics.
Download or read book Thiazoles Advances in Research and Application 2011 Edition written by and published by ScholarlyEditions. This book was released on 2012-01-09 with total page 119 pages. Available in PDF, EPUB and Kindle. Book excerpt: Thiazoles: Advances in Research and Application: 2011 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Thiazoles. The editors have built Thiazoles: Advances in Research and Application: 2011 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Thiazoles in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Thiazoles: Advances in Research and Application: 2011 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.
Download or read book Charge and Energy Transfer Dynamics in Molecular Systems written by Volkhard May and published by John Wiley & Sons. This book was released on 2023-06-06 with total page 549 pages. Available in PDF, EPUB and Kindle. Book excerpt: Charge and Energy Transfer Dynamics in Molecular Systems Comprehensive resource offering knowledge on charge and energy transfer dynamics in molecular systems and nanostructures Charge and Energy Transfer Dynamics in Molecular Systems provides a unified description of different charge and energy transfer phenomena in molecular systems with emphasis on the theory, bridging the regimes of coherent and dissipative dynamics and thus presenting classic rate theories as well as modern treatments of ultrafast phenomena. Starting from microscopic models, the common features of the different transfer processes are highlighted, along with applications ranging from vibrational energy flow in large polyatomic molecules, the motion of protons in solution, up to the concerted dynamics of electronic and nuclear degrees of freedom in molecules and molecular aggregates. The newly revised and updated Fourth Edition contains a more detailed coverage of recent developments in density matrix theory, mixed quantum-classical methods for dynamics simulations, and a substantially expanded treatment of time-resolved spectroscopy. The book is written in an easy-to-follow style, including detailed mathematical derivations, thus making even complex concepts understandable and applicable. Charge and Energy Transfer Dynamics in Molecular Systems includes information on: Electronic and vibrational molecular states, covering molecular Schrödinger equation, Born—Oppenheimer separation and approximation, Hartree-Fock equations and other electronic structure methods Dynamics of isolated and open quantum systems, covering multidimensional wave packet dynamics, and different variants of density operator equations Interaction of molecular systems with radiation fields, covering linear and nonlinear optical response using the correlation function approach Intramolecular electronic transitions, covering optical transition and internal conversion processes Transfer processes of electrons, protons, and electronic excitation energy Providing in-depth coverage of the subject, Charge and Energy Transfer Dynamics in Molecular Systems is an essential resource for anyone working on timely problems of energy and charge transfer in physics, chemistry and biophysics as well as for all engaged in nanoscience and organic electronics.
Download or read book Advances in Chemical Physics written by Ilya Prigogine and published by John Wiley & Sons. This book was released on 2009-09-08 with total page 467 pages. Available in PDF, EPUB and Kindle. Book excerpt: Part of an open-ended series which helps readers obtain information on a wide variety of topics in chemical physics. Volume LVII features papers by outstanding specialists in such areas as the local mode picture, multimode molecular dynamics, Jahn-Teller trajectories, and the structure, dynamics, and dissipation in hard core molecular liquids.
Download or read book Advances in Quantum Chemistry written by and published by Academic Press. This book was released on 1983-02-15 with total page 276 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry
Download or read book The Theory of the Jahn Teller Effect written by Arnout Ceulemans and published by Springer Nature. This book was released on 2022-09-29 with total page 429 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a comprehensive discussion of the Jahn-Teller Effect (JTE), focusing on the boson-fermion interaction. While current research is concerned with measuring and calculating ever more sophisticated and complex manifestations of the JT effect, the present volume takes away the epicycles of the theory and focuses on the symmetry dilemma at its core. When fermions and bosons meet, they get entangled and form a new dynamic reality. According to the rules of Molecular Symmetry, this reality is limited to a small set of patterns, with degeneracy cardinalities: 2, 3, 4, 5, and 6. The novelty of the book is that it adopts a unique mathematical technique, known as the Bargmann-Fock representation, and treats all degeneracies in detail. So far, this method was only applied to the simplest doublet case therefore its extension to the entire range of cases offers a new unified perspective. This volume will help the reader acquire a clear understanding of the JT effect, discover its universal mechanism and it will be a great tool for researchers and graduates working on this topic.
Download or read book Issues in Chemical Engineering and other Chemistry Specialties 2013 Edition written by and published by ScholarlyEditions. This book was released on 2013-05-01 with total page 1201 pages. Available in PDF, EPUB and Kindle. Book excerpt: Issues in Chemical Engineering and other Chemistry Specialties: 2013 Edition is a ScholarlyEditions™ book that delivers timely, authoritative, and comprehensive information about Chemical Modeling. The editors have built Issues in Chemical Engineering and other Chemistry Specialties: 2013 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Chemical Modeling in this book to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Issues in Chemical Engineering and other Chemistry Specialties: 2013 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.
