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Transitions In Molecular Systems
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Book Synopsis Transitions in Molecular Systems by : Hans J. Kupka
Download or read book Transitions in Molecular Systems written by Hans J. Kupka and published by John Wiley & Sons. This book was released on 2011-07-28 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt: Filling the gap for a book covering vibronic, nonadiabatic and diabatic couplings as well as radiationless processes in context, this monograph compiles classic and cutting-edge work from numerous researchers into one handy source. Alongside a description of radiationless processes in statistical large molecules and calculational methods for intramolecular distributions, the authors also investigate the nuclear coordinate dependence of matrix elements. Whole chapters are devoted to the mathematical description of the lifetime and decay of a prepared states as well as miscellaneous applications. The text is supplemented by a number of appendices for optimum usability. With its integration of the necessary mathematical rigor, this is primarily intended for graduate students in theoretical physics and chemistry, but is also indispensable reading for those working in molecular physics, physical chemistry and laser physics.
Book Synopsis Transitions in Molecular Systems by : Hans J. Kupka
Download or read book Transitions in Molecular Systems written by Hans J. Kupka and published by Wiley-VCH. This book was released on 2010-05-14 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt: Filling the gap for a book covering vibronic, nonadiabatic and diabatic couplings as well as radiationless processes in context, this monograph compiles classic and cutting-edge work from numerous researchers into one handy source. Alongside a description of radiationless processes in statistical large molecules and calculational methods for intramolecular distributions, the authors also investigate the nuclear coordinate dependence of matrix elements. Whole chapters are devoted to the mathematical description of the lifetime and decay of a prepared states as well as miscellaneous applications. The text is supplemented by a number of appendices for optimum usability. With its integration of the necessary mathematical rigor, this is primarily intended for graduate students in theoretical physics and chemistry, but is also indispensable reading for those working in molecular physics, physical chemistry and laser physics.
Book Synopsis Charge and Energy Transfer Dynamics in Molecular Systems by : Volkhard May
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 2011-04-27 with total page 600 pages. Available in PDF, EPUB and Kindle. Book excerpt: This 3rd edition has been expanded and updated to account for recent developments, while new illustrative examples as well as an enlarged reference list have also been added. It naturally retains the successful concept of its predecessors in presenting a unified perspective on molecular charge and energy transfer processes, thus bridging the regimes of coherent and dissipative dynamics, and establishing a connection between classic rate theories and modern treatments of ultrafast phenomena. Among the new topics are: - Time-dependent density functional theory - Heterogeneous electron transfer, e.g. between molecules and metal or semiconductor surfaces - Current flows through a single molecule. While serving as an introduction for graduate students and researchers, this is equally must-have reading for theoreticians and experimentalists, as well as an aid to interpreting experimental data and accessing the original literature.
Book Synopsis Dynamics of Molecular Collisions by : W. Miller
Download or read book Dynamics of Molecular Collisions written by W. Miller and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 391 pages. Available in PDF, EPUB and Kindle. Book excerpt: Activity in any theoretical area is usually stimulated by new experimental techniques and the resulting opportunity of measuring phenomena that were previously inaccessible. Such has been the case in the area under consideration he re beginning about fifteen years aga when the possibility of studying chemical reactions in crossed molecular beams captured the imagination of physical chemists, for one could imagine investigating chemical kinetics at the same level of molecular detail that had previously been possible only in spectroscopic investigations of molecular stucture. This created an interest among chemists in scattering theory, the molecular level description of a bimolecular collision process. Many other new and also powerful experimental techniques have evolved to supplement the molecular be am method, and the resulting wealth of new information about chemical dynamics has generated the present intense activity in molecular collision theory. During the early years when chemists were first becoming acquainted with scattering theory, it was mainly a matter of reading the physics literature because scattering experiments have long been the staple of that field. It was natural to apply the approximations and models that had been developed for nuclear and elementary particle physics, and although some of them were useful in describing molecular collision phenomena, many were not.
Book Synopsis Information Theory of Molecular Systems by : Roman F Nalewajski
Download or read book Information Theory of Molecular Systems written by Roman F Nalewajski and published by Elsevier. This book was released on 2006-03-31 with total page 463 pages. Available in PDF, EPUB and Kindle. Book excerpt: As well as providing a unified outlook on physics, Information Theory (IT) has numerous applications in chemistry and biology owing to its ability to provide a measure of the entropy/information contained within probability distributions and criteria of their information "distance" (similarity) and independence. Information Theory of Molecular Systems applies standard IT to classical problems in the theory of electronic structure and chemical reactivity. The book starts by introducing the basic concepts of modern electronic structure/reactivity theory based upon the Density Functional Theory (DFT), followed by an outline of the main ideas and techniques of IT, including several illustrative applications to molecular systems. Coverage includes information origins of the chemical bond, unbiased definition of molecular fragments, adequate entropic measures of their internal (intra-fragment) and external (inter-fragment) bond-orders and valence-numbers, descriptors of their chemical reactivity, and information criteria of their similarity and independence. Information Theory of Molecular Systems is recommended to graduate students and researchers interested in fresh ideas in the theory of electronic structure and chemical reactivity.·Provides powerful tools for tackling both classical and new problems in the theory of the molecular electronic structure and chemical reactivity·Introduces basic concepts of the modern electronic structure/reactivity theory based upon the Density Functional Theory (DFT)·Outlines main ideas and techniques of Information Theory
Book Synopsis Frontiers of Molecular Spectroscopy by : Jaan Laane
Download or read book Frontiers of Molecular Spectroscopy written by Jaan Laane and published by Elsevier. This book was released on 2011-08-11 with total page 741 pages. Available in PDF, EPUB and Kindle. Book excerpt: Much of what we know about atoms, molecules, and the nature of matter has been obtained using spectroscopy over the last one hundred years or so. In this book we have collected together twenty chapters by eminent scientists from around the world to describe their work at the cutting edge of molecular spectroscopy. These chapters describe new methodology and applications, instrumental developments, and theory which is taking spectroscopy into new frontiers. The range of topics is broad. Lasers are utilized in much of the research, but their applications range from sub-femtosecond spectroscopy to the study of viruses and also to the investigation of art and archeological artifacts. Three chapters discuss work on biological systems and three others represent laser physics. The recent advances in cavity ringdown spectroscopy (CRDS), surface enhanced Raman spectroscopy (SERS), two-dimensional correlation spectroscopy (2D-COS), and microwave techniques are all covered. Chapters on electronic excited states, molecular dynamics, symmetry applications, and neutron scattering are also included and demonstrate the wide utility of spectroscopic techniques. - Provides comprehensive coverage of present spectroscopic investigations - Features 20 chapters written by leading researchers in the field - Covers the important role of molecular spectroscopy in research concerned with chemistry, physics, and biology
Book Synopsis Rotational Structure in Molecular Infrared Spectra by : Carlo di Lauro
Download or read book Rotational Structure in Molecular Infrared Spectra written by Carlo di Lauro and published by Elsevier. This book was released on 2013-05-13 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent advances in infrared molecular spectroscopy have resulted in sophisticated theoretical and laboratory methods that are difficult to grasp without a solid understanding of the basic principles and underlying theory of vibration-rotation absorption spectroscopy. Rotational Structure in Molecular Infrared Spectra fills the gap between these recent, complex topics and the most elementary methods in the field of rotational structure in the infrared spectra of gaseous molecules. There is an increasing need for people with the skills and knowledge to interpret vibration-rotation spectra in many scientific disciplines, including applications in atmospheric and planetary research. Consequently, the basic principles of vibration-rotation absorption spectroscopy are addressed for contemporary applications. In addition to covering operational quantum mechanical methods, spherical tensor algebra, and group theoretical methods applied to molecular symmetry, attention is also given to phase conventions and their effects on the values of matrix elements. Designed for researchers and PhD students involved in the interpretation of vibration-rotation spectra, the book intentionally separates basic theoretical arguments (in the appendices), allowing readers who are mainly concerned with applications to skip the principles while at the same time providing a sound theoretical basis for readers who are looking for more foundational information.
Book Synopsis From Molecules to Molecular Systems by : Saburo Nagakura
Download or read book From Molecules to Molecular Systems written by Saburo Nagakura and published by Springer Science & Business Media. This book was released on 2013-03-14 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular systems are assemblies of molecules designed to possess special qualities and desired functionality. Such systems are important because they provide materials with novel properties, and they will be particularly useful for minimizing electronic devices. Molecular systems often form organized molecular crystals, polymers, or thin films that are significantly more complex than current materials. To provide a sound basis for understanding these levels of complexity, this book provides an analysis of the fundamentals of electronic structures, dynamic processes in condensed phases, and the unique properties of organic molecular solids and the environmental effects on these properties. Also covered are the latest methods in physical chemistry that are particularly useful for deriving and controlling the functionality of molecular systems. A second volume subtitled From Molecular Systems to Molecular Devices is also being published.
Book Synopsis Hierarchical Methods for Dynamics in Complex Molecular Systems by : Johannes Grotendorst
Download or read book Hierarchical Methods for Dynamics in Complex Molecular Systems written by Johannes Grotendorst and published by Forschungszentrum Jülich. This book was released on 2012 with total page 557 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Quantum Modeling of Complex Molecular Systems by : Jean-Louis Rivail
Download or read book Quantum Modeling of Complex Molecular Systems written by Jean-Louis Rivail and published by Springer. This book was released on 2015-10-13 with total page 524 pages. Available in PDF, EPUB and Kindle. Book excerpt: This multi-author contributed volume includes methodological advances and original applications to actual chemical or biochemical phenomena which were not possible before the increased sophistication of modern computers. The chapters contain detailed reviews of the developments of various computational techniques, used to study complex molecular systems such as molecular liquids and solutions (particularly aqueous solutions), liquid-gas, solid-gas interphase and biomacromolecular systems. Quantum modeling of complex molecular systems is a useful resource for graduate students and fledgling researchers and is also an excellent companion for research professionals engaged in computational chemistry, material science, nanotechnology, physics, drug design, and molecular biochemistry.
Book Synopsis Vibrational Dynamics Of Molecules by : Joel M Bowman
Download or read book Vibrational Dynamics Of Molecules written by Joel M Bowman and published by World Scientific. This book was released on 2022-06-14 with total page 603 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vibrational Dynamics of Molecules represents the definitive concise text on the cutting-edge field of vibrational molecular chemistry. The chapter contributors are a Who's Who of world leaders in the field. The editor, Joel Bowman, is widely considered as one of the founding fathers of theoretical reaction dynamics. The included topics span the field, from fundamental theory such as collocation methods and vibrational CI methods, to interesting applications such as astrochemistry, supramolecular systems and virtual computational spectroscopy. This is a useful reference for theoretical chemists, spectroscopists, physicists, undergraduate and graduate students, lecturers and software developers.
Book Synopsis Photoprocesses in Transition Metal Complexes, Biosystems and Other Molecules. Experiment and Theory by : E. Kochanski
Download or read book Photoprocesses in Transition Metal Complexes, Biosystems and Other Molecules. Experiment and Theory written by E. Kochanski and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: The scope of this paper is to recall fundamental notions of the molecular spectroscopy and dynamics, necessary for discussion of photophysical and photochemical processes in condensed phases. We will thus treat in a more detailed way the specific features which are important for molecular systems strongly interacting with their environment. Other aspects such as the time evolution of isolated molecules, single-level excitation and state-to-state chemistry, important for the gas-phase photophysics are omitted. We start (Sec.2) with a brief description of radiative processes (light absorption and emission) in molecules. In the quantum-mechanical treatment of this problem, the appropriate basis is that of so-called zero-order states, corresponding to the traditional scheme of electronic states (singlets, doublets, triplets etc.) and vibrational levels belonging to each state. The important point will be deduction of selection rules for most radiative transitions. At this stage all molecular states are considered as stationary states. In order to treat the breakdown of simple selection rules and non-radiative transitions between individual molecular states, it is necessary to take into account the mechanisms coupling the zero-order states (Sec.3). We will first focus on intramolecular coupling effects and then discuss the solvent effects on intramolecular relaxation processes. The problem of the non-radiative transfer of the electronic energy between different molecules - closely related to that of the energy dissipation within a single molecule will be treated in Sec.4.
Book Synopsis Dynamical Processes In Condensed Molecular Systems - Proceedings Of The Emil-warburg Symposium by : A Blumen
Download or read book Dynamical Processes In Condensed Molecular Systems - Proceedings Of The Emil-warburg Symposium written by A Blumen and published by World Scientific. This book was released on 1990-12-19 with total page 466 pages. Available in PDF, EPUB and Kindle. Book excerpt: The research on condensed molecular solids is truly interdisciplinary, spanning the range from statistical and molecular physics to solid-state-physics, chemistry, up to materials science. This Symposium on dynamical processes in condensed molecular systems highlights the most recent developments in the field, focussing on low-dimensional and non-crystalline materials, such as Langmuir-Blodgett-films, polymers and glasses. The text includes both advanced experimental techniques (hole-burning, fluorescence, short-time pulses, nonlinear spectroscopy) and also modern theoretical approches (dynamical percolation, fractals, localization).
Book Synopsis Introduction to Molecular Magnetism by : Cristiano Benelli
Download or read book Introduction to Molecular Magnetism written by Cristiano Benelli and published by John Wiley & Sons. This book was released on 2015-06-22 with total page 464 pages. Available in PDF, EPUB and Kindle. Book excerpt: This first introduction to the rapidly growing field of molecular magnetism is written with Masters and PhD students in mind, while postdocs and other newcomers will also find it an extremely useful guide. Adopting a clear didactic approach, the authors cover the fundamental concepts, providing many examples and give an overview of the most important techniques and key applications. Although the focus is one lanthanide ions, thus reflecting the current research in the field, the principles and the methods equally apply to other systems. The result is an excellent textbook from both a scientific and pedagogic point of view.
Book Synopsis Out-of-Equilibrium (Supra)molecular Systems and Materials by : Nicolas Giuseppone
Download or read book Out-of-Equilibrium (Supra)molecular Systems and Materials written by Nicolas Giuseppone and published by John Wiley & Sons. This book was released on 2021-03-30 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: A must-have resource that covers everything from out-of-equilibrium chemical systems and materials to dissipative self-assemblies Out-of-Equilibrium Supramolecular Systems and Materials presents a comprehensive overview of the synthetic approaches that use supramolecular bonds in various out-of-thermodynamic equilibrium situations. With contributions from noted experts on the topic, the text contains information on the design of dissipative self-assemblies that maintain their structures when fueled by an external source of energy. The contributors also examine molecules and nanoscale objects and materials that can produce mechanical work based on molecular machines. Additionally, the book explores non-equilibrium supramolecular polymers that can be trapped in kinetically stable states, as well as out-of-equilibrium chemical systems and oscillators that are important to understand the emergence of complex behaviors and, in particular, the origin of life. This important book: Offers comprehensive coverage of fields from design of dissipative self-assemblies to non-equilibrium supramolecular polymers Presents information on a highly emerging and interdisciplinary topic Includes contributions from internationally renowned scientists Written for chemists, physical chemists, biochemists, material scientists, Out-of-Equilibrium Supramolecular Systems and Materials is an indispensable resource written by top scientists in the field.
Book Synopsis Advances in Chemical Physics, Volume 125 by : Ilya Prigogine
Download or read book Advances in Chemical Physics, Volume 125 written by Ilya Prigogine and published by John Wiley & Sons. This book was released on 2003-01-31 with total page 605 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Chemical Physics covers recent advances at the cutting edge of research relative to chemical physics. The series, Advances in Chemical Physics, provides a forum for critical, authoritative evaluations of advances in every area of the discipline.
Book Synopsis Handbook of Transition Metal Polymerization Catalysts by : Ray Hoff
Download or read book Handbook of Transition Metal Polymerization Catalysts written by Ray Hoff and published by John Wiley & Sons. This book was released on 2018-04-20 with total page 895 pages. Available in PDF, EPUB and Kindle. Book excerpt: Including recent advances and historically important catalysts, this book overviews methods for developing and applying polymerization catalysts – dealing with polymerization catalysts that afford commercially acceptable high yields of polymer with respect to catalyst mass or productivity. • Contains the valuable data needed to reproduce syntheses or use the catalyst for new applications • Offers a guide to the design and synthesis of catalysts, and their applications in synthesis of polymers • Includes the information essential for choosing the appropriate reactions to maximize yield of polymer synthesized • Presents new chapters on vanadium catalysts, Ziegler catalysts, laboratory homopolymerization, and copolymerization
