Vibronic Coupling Density

Vibronic Coupling Density

Author: Tatsuhisa Kato

Publisher: Springer Nature

Published: 2021-06-18

Total Pages: 122

ISBN-13: 9811617961

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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.


Vibronic Coupling Density

Vibronic Coupling Density

Author: Tatsuhisa Kato

Publisher: Springer

Published: 2021-06-19

Total Pages: 113

ISBN-13: 9789811617959

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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.


The Jahn-Teller Effect

The Jahn-Teller Effect

Author: Horst Köppel

Publisher: Springer Science & Business Media

Published: 2009-12-08

Total Pages: 912

ISBN-13: 3642034322

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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.


Vibronic Interactions in Molecules and Crystals

Vibronic Interactions in Molecules and Crystals

Author: Isaac B. Bersuker

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 434

ISBN-13: 3642834795

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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.


Photosynergetic Responses in Molecules and Molecular Aggregates

Photosynergetic Responses in Molecules and Molecular Aggregates

Author: Hiroshi Miyasaka

Publisher: Springer Nature

Published: 2020-09-05

Total Pages: 593

ISBN-13: 981155451X

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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.


Advances in Photochemistry

Advances in Photochemistry

Author: James N. Pitts

Publisher: John Wiley & Sons

Published: 2009-09-24

Total Pages: 426

ISBN-13: 0470133643

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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.


Two-Dimensional Optical Spectroscopy

Two-Dimensional Optical Spectroscopy

Author: Minhaeng Cho

Publisher: CRC Press

Published: 2009-06-16

Total Pages: 396

ISBN-13: 1420084305

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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


Issues in Electronics Research and Application: 2011 Edition

Issues in Electronics Research and Application: 2011 Edition

Author:

Publisher: ScholarlyEditions

Published: 2012-01-09

Total Pages: 1976

ISBN-13: 1464963916

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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/.


Vibrational Optical Activity

Vibrational Optical Activity

Author: Laurence A. Nafie

Publisher: John Wiley & Sons

Published: 2011-07-12

Total Pages: 373

ISBN-13: 1119977533

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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.


Optical Properties of Solids

Optical Properties of Solids

Author: Anthony Mark Fox

Publisher: Oxford University Press, USA

Published: 2001

Total Pages: 324

ISBN-13: 9780198506126

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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.