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Energy Storage And Redistribution In Molecules
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Book Synopsis Energy Storage and Redistribution in Molecules by : Jürgen Hinze
Download or read book Energy Storage and Redistribution in Molecules written by Jürgen Hinze and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 606 pages. Available in PDF, EPUB and Kindle. Book excerpt: We characterize an isolated molecule by its compos~t~on, i.e. the number and types of atoms forming the molecule, its structure, i.e. the geometrical arrangement of the composite atoms with respect to each other, and its possible, i.e. quantum mechanically allowed, stationary energy states. Conceptually we separate the latter, being aware that this is an approximation, into electronic, vibrational and rotational states, including fine and hyperfine structure splittings. To be sure, there is an intimate relation between molecular structure and molecular energy states, in fact it is this relation we use, when we obtain structural information through spectroscopy, where we determine transitions between various stationary states of the molecule. The concepts above have proven extremely useful in chemistry and spectroscopy, however, the awareness of the limitations of these concepts has grown in recent years with the increasing recognition of (i) fluctional molecules, (ii) multiphoton absorption processes and (iii) influences due to the surroundings on "isolated" molecules.
Book Synopsis Beyond the Molecular Frontier by : National Research Council
Download or read book Beyond the Molecular Frontier written by National Research Council and published by National Academies Press. This book was released on 2003-03-19 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
Book Synopsis Techno-Economic Challenges of Green Ammonia as an Energy Vector by : Agustin Valera-Medina
Download or read book Techno-Economic Challenges of Green Ammonia as an Energy Vector written by Agustin Valera-Medina and published by Academic Press. This book was released on 2020-09-30 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt: Techno-Economic Challenges of Green Ammonia as an Energy Vector presents the fundamentals, techno-economic challenges, applications, and state-of-the-art research in using green ammonia as a route toward the hydrogen economy. This book presents practical implications and case studies of a great variety of methods to recover stored energy from ammonia and use it for power, along with transport and heating applications, including its production, storage, transportation, regulations, public perception, and safety aspects. As a unique reference in this field, this book can be used both as a handbook by researchers and a source of background knowledge by graduate students developing technologies in the fields of hydrogen economy, hydrogen energy, and energy storage. - Includes glossaries, case studies, practical concepts, and legal, public perception, and policy viewpoints that allow for thorough, practical understanding of the use of ammonia as energy carrier - Presents its content in a modular structure that can be used in sequence, as a handbook, in individual parts or as a field reference - Explores the use of ammonia, both as a medium for hydrogen storage and an energy vector unto itself
Book Synopsis Molecular Reaction Dynamics by : Raphael D. Levine
Download or read book Molecular Reaction Dynamics written by Raphael D. Levine and published by Cambridge University Press. This book was released on 2009-06-04 with total page 574 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular reaction dynamics is the study of chemical and physical transformations of matter at the molecular level. The understanding of how chemical reactions occur and how to control them is fundamental to chemists and interdisciplinary areas such as materials and nanoscience, rational drug design, environmental and astrochemistry. This book provides a thorough foundation to this area. The first half is introductory, detailing experimental techniques for initiating and probing reaction dynamics and the essential insights that have been gained. The second part explores key areas including photoselective chemistry, stereochemistry, chemical reactions in real time and chemical reaction dynamics in solutions and interfaces. Typical of the new challenges are molecular machines, enzyme action and molecular control. With problem sets included, this book is suitable for advanced undergraduate and graduate students, as well as being supplementary to chemical kinetics, physical chemistry, biophysics and materials science courses, and as a primer for practising scientists.
Book Synopsis Handbook of High-resolution Spectroscopy by : Martin Quack
Download or read book Handbook of High-resolution Spectroscopy written by Martin Quack and published by John Wiley & Sons. This book was released on 2011-09-26 with total page 2236 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of High-Resolution Spectroscopy has been considerably extended and even redefined in some areas. Combining the knowledge of spectroscopy, laser technology, chemical computation, and experiments, Handbook of High-Resolution Spectroscopy provides a comprehensive survey of the whole field as it presents itself today, with emphasis on the recent developments. This essential handbook for advanced research students, graduate students, and researchers takes a systematic approach through the range of wavelengths and includes the latest advances in experiment and theory that will help and guide future applications. The first comprehensive survey in high-resolution molecular spectroscopy for over 15 years Brings together the knowledge of spectroscopy, laser technology, chemical computation and experiments Brings the reader up-to-date with the many advances that have been made in recent times Takes the reader through the range of wavelengths, covering all possible techniques such as Microwave Spectroscopy, Infrared Spectroscopy, Raman Spectroscopy, VIS, UV and VUV Combines theoretical, computational and experimental aspects Has numerous applications in a wide range of scientific domains Edited by two leaders in this field Provides an overview of rotational, vibration, electronic and photoelectron spectroscopy Volume 1 - Introduction: Fundamentals of Molecular Spectroscopy Volume 2 - High-Resolution Molecular Spectroscopy: Methods and Results Volume 3 - Special Methods & Applications
Book Synopsis Laser Spectroscopy by : Wolfgang Demtröder
Download or read book Laser Spectroscopy written by Wolfgang Demtröder and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 942 pages. Available in PDF, EPUB and Kindle. Book excerpt: Laser Spectroscopy - in this second enlarged edition - provides an introduction to modern techniques and instrumentation in laser spectroscopy. The first part, which discusses the basic concepts of absorption and emission of light, the spectroscopic instrumentation for wavelength measurements and detection of light, and the spectroscopic properties of lasers, is a textbook for graduate students. The second part gives a survey on different techniques of laser spectroscopy and their applications, with ample references to the original literature. This book helps close the gap between classical works on optics and spectroscopy, and more specialized publications on modern research in this field. It is addressed to graduate students in physics and chemistry as well as scientists just entering this field on research.
Download or read book Energy Research Abstracts written by and published by . This book was released on 1984 with total page 192 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Laser Spectroscopy 2 by : Wolfgang Demtröder
Download or read book Laser Spectroscopy 2 written by Wolfgang Demtröder and published by Springer. This book was released on 2015-01-07 with total page 773 pages. Available in PDF, EPUB and Kindle. Book excerpt: Keeping abreast of the latest techniques and applications, this new edition of the standard reference and graduate text on laser spectroscopy has been completely revised and expanded. While the general concept is unchanged, the new edition features a broad array of new material, e.g., ultrafast lasers (atto- and femto-second lasers), coherent matter waves, Doppler-free Fourier spectroscopy, interference spectroscopy, quantum optics and gravitational waves and still more applications in chemical analysis, medical diagnostics, and engineering.
Book Synopsis Molecules and Radiation by : Jeffrey I. Steinfeld
Download or read book Molecules and Radiation written by Jeffrey I. Steinfeld and published by Courier Corporation. This book was released on 2012-11-09 with total page 514 pages. Available in PDF, EPUB and Kindle. Book excerpt: This unified treatment introduces upper-level undergraduates and graduate students to the concepts and methods of modern molecular spectroscopy and their applications to quantum electronics, lasers, and related optical phenomena. Starting with a review of the prerequisite quantum mechanical background, the text examines atomic spectra and diatomic molecules, including the rotation and vibration of diatomic molecules and their electronic spectra. A discussion of rudimentary group theory advances to considerations of the rotational spectra of polyatomic molecules and their vibrational and electronic spectra; molecular beams, masers, and lasers; and a variety of forms of spectroscopy, including optical resonance spectroscopy, coherent transient spectroscopy, multiple-photon spectroscopy, and spectroscopy beyond molecular constants. The text concludes with a series of useful appendixes.
Book Synopsis Chemical Physics and Quantum Chemistry by :
Download or read book Chemical Physics and Quantum Chemistry written by and published by Academic Press. This book was released on 2020-09-18 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. In this volume the readers are presented with an exciting combination of themes. - Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology - Features detailed reviews written by leading international researchers - Topics include: New advances in Quantum Chemical Physics; Original theory and a contemporary overview of the field of Theoretical Chemical Physics; State-of-the-Art calculations in Theoretical Chemistry
Book Synopsis New Developments in Molecular Chirality by : Paul G. Mezey
Download or read book New Developments in Molecular Chirality written by Paul G. Mezey and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular chirality is one of the fundamental aspects of chemistry. Chirality properties of molecules have implications in a wide variety of subjects, ranging from the basic quantum mechanical properties of simple of a few atoms to molecular optical activity, asymmetric synthesis, systems and the folding pattern of proteins. Chirality, in both the geometrical and the topological sense, has also been the subject of investigations in various branches of mathematics. In particular, new developments in a branch of topology, called knot theory, as well as in various branches of discrete mathematics, have led to a novel perspective on the topological aspects of molecular chirality. Some of the mathematical advances have already found applications to the interpretation of new concepts in theoretical chemistry and mathematical chemistry, as well as to novel synthetic approaches leading to new molecules of exceptional structural properties. Some of the new developments in molecular chirality have been truly fundamental to the theoretical understanding and to the actual practice of many aspects of chemistry. The progress in this field has been very rapid, even accelerating in recent years, and a review appears more than justified. This book offers a selection of subjects covering some of the latest developments. Our primary aim is to clarify some of the basic concepts that are the most prone to misinterpretation and to provide brief introductions to some of those subjects that are expected to have further, important contributions to our understanding of molecular properties and chemical reactivity.
Book Synopsis Relativistic Electronic Structure Theory by :
Download or read book Relativistic Electronic Structure Theory written by and published by Elsevier. This book was released on 2004-03-05 with total page 805 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of relativistic electronic structure theory is generally not part of theoretical chemistry education, and is therefore not covered in most quantum chemistry textbooks. This is due to the fact that only in the last two decades have we learned about the importance of relativistic effects in the chemistry of heavy and superheavy elements. Developments in computer hardware together with sophisticated computer algorithms make it now possible to perform four-component relativistic calculations for larger molecules. Two-component and scalar all-electron relativistic schemes are also becoming part of standard ab-initio and density functional program packages for molecules and the solid state. The second volume of this two-part book series is therefore devoted to applications in this area of quantum chemistry and physics of atoms, molecules and the solid state. Part 1 was devoted to fundamental aspects of relativistic electronic structure theory whereas Part 2 covers more of the applications side. This volume opens with a section on the Chemistry of the Superheavy Elements and contains chapters dealing with Accurate Relativistic Fock-Space Calculations for Many-Electron Atoms, Accurate Relativistic Calculations Including QED, Parity-Violation Effects in Molecules, Accurate Determination of Electric Field Gradients for Heavy Atoms and Molecules, Two-Component Relativistic Effective Core Potential Calculations for Molecules, Relativistic Ab-Initio Model Potential Calculations for Molecules and Embedded Clusters, Relativistic Pseudopotential Calculations for Electronic Excited States, Relativistic Effects on NMR Chemical Shifts, Relativistic Density Functional Calculations on Small Molecules, Quantum Chemistry with the Douglas-Kroll-Hess Approach to Relativistic Density Functional Theory, and Relativistic Solid State Calculations.- Comprehensive publication which focuses on new developments in relativistic quantum electronic structure theory- Many leaders from the field of theoretical chemistry have contributed to the TCC series- Will no doubt become a standard text for scientists in this field.
Download or read book Femtochemistry written by Ahmed H. Zewail and published by World Scientific. This book was released on 1994 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: These two volumes on Femtochemistry present a timely contribution to a field central to the understanding of the dynamics of the chemical bond. This century has witnessed great strides in time and space resolutions, down to the atomic scale, providing chemists, biologists and physicists with unprecedented opportunities for seeing microscopic structures and dynamics. Femtochemistry is concerned with the time resolution of the most elementary motions of atoms during chemical change -- bond breaking and bond making -- on the femtosecond (10-15 second) time scale. This atomic scale of time resolution has now reached the ultimate for the chemical bond and as Lord George Porter puts it, chemists are near the end of the race against time. These two volumes cover the general concepts, techniques and applications of femtochemistry.Professor Ahmed Zewail, who has made the pioneering contributions in this field, has from over 250 publications selected the articles for this anthology. These volumes begin with a commentary and a historical chronology of the milestones. He then presents a broad perspective of the current state of knowledge in femtochemistry by researchers around the world and discusses possible new directions. In the words of a colleague, "it is a must on the reading-list for all of my students ... all readers will find this to be an informative and valuable overview."The introductory articles in Volume I provide reviews for both the non-experts as well as for experts in the field. This is followed by papers on the basic concepts. For applications, elementary reactions are studied first and then complex reactions. Volume I is complete with studies of solvation dynamics, non-reactive systems, ultrafast electron diffraction and the control of chemical reactions.Volume II continues with reaction rates, the concept of elementary intramolecular vibrational-energy redistribution (IVR) and the phenomena of rotational coherence which has become a powerful tool for the determination of molecular structure via time resolution. The second volume ends with an extensive list of references, according to topics, based on work by Professor Zewail and his group at Caltech.These collected works by Professor Zewail will certainly be indispensable to both experts and beginners in the field. The author is known for his clarity and for his creative and systematic contributions. These volumes will be of interest and should prove useful to chemists, biologists and physicists. As noted by Professor J Manz (Berlin) and Professor A W Castleman, Jr. (Penn State): femtochemistry is yielding exciting new discoveries from analysis to control of chemical reactions, with applications in many domains of chemistry and related fields, e.g., physical, organic and inorganic chemistry, surface science, molecular biology, ... etc.
Book Synopsis Large Finite Systems by : Joshua Jortner
Download or read book Large Finite Systems written by Joshua Jortner and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 391 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Twentieth Jerusalem Symposium reflected the high standards of these distinguished scientific meetings which convene once a year at the Israel Academy of Sciences and Humanities in Jerusalem to discuss a specific topic in the broad area of quantum chemistry and biochemistry. The Twentieth Jerusalem Symposium marked an auspicious occasion. commemorating two decades of this scientific endeavour. The topic at this year's Jerusalem Symposium was Large Finite Systems which constitutes a truly interdisciplinary subject of central interest in the broad areas of chemistry. physics. astrophysics and biophysics. The main theme of the Symposium was built around bridging the gap between molecular. surface and condensed matter chemical physics. Emphasis was placed on the interrelationship between the properties of large molecules. van der Waals complexes and clusters. focusing on the structure. dynamics of nuclear motion. quantum and thermodynamics size effects. the nature of electronic states and excited-state energetics and dynamics of large finite systems. The interdisciplinary nature of these research areas was deliberated by intensive and extensive interactions between scientists from different disciplines and between theory and experiment. This volume provides a record of the invited lectures at the Symposium.
Book Synopsis Chemical Reactions and Their Control on the Femtosecond Time Scale by : Pierre Gaspard
Download or read book Chemical Reactions and Their Control on the Femtosecond Time Scale written by Pierre Gaspard and published by John Wiley & Sons. This book was released on 2009-09-09 with total page 984 pages. Available in PDF, EPUB and Kindle. Book excerpt: Continuing the tradition of the Advances in Chemical Physics series, Volume 101: Chemical Reactions and Their Control on the Femtosecond Time Scale details the extraordinary findings reported at the XXth Solvay Conference on Chemistry, held at the Universite Libre de Bruxelles, Belgium, from November 28 to December 2, 1995. This new volume discusses the remarkable opportunities afforded by the femtosecond laser, focusing on the host of phenomena this laser has made it possible to observe. Examining molecules on the intrinsic time scale of their vibrations as well as their dissociative motions and electronic excitations represents only part of a broadened scientific window made possible by the femtosecond laser. The assembled studies, with follow-up discussions, reflect the many specialties and perspectives of the Conference's 65 participants as well as their optimism concerning the breadth of scientific discovery now open to them. The studies shed light on the laser's enhanced technical reach in the area of coherent control of chemical reactions as well as of more general quantum systems. The theoretical fundamentals of femto-chemistry, the unique behavior of the femtosecond laser, and a view toward future technological applications were also discussed: * Femtochemistry: chemical reaction dynamics and their control * Coherent control with femtosecond laser pulses * Femtosecond chemical dynamics in condensed phases * Control of quantum many-body dynamics * Experimental observation of laser control * Solvent dynamics and RRKM theory of clusters * High-resolution spectroscopy and intramolecular dynamics * Molecular Rydberg states and ZEKE spectroscopy * Transition-state spectroscopy and photodissociation * Quantum and semiclassical theories of chemical reaction rates. A fascinating and informative status report on the cutting-edge chemical research made possible by the femtosecond laser, Chemical Reactions and Their Control on the Femtosecond Time Scale is an indispensable volume for professionals and students alike. The femtosecond laser and chemistry's extraordinary new frontier of molecular motions observed on the scale of a quadrillionth of a second. Research chemists have only tapped the surface of the spectacular reach and precision of the femtosecond laser, a technology that has allowed them to observe the dynamics of molecules on the intrinsic time scale of their vibrations, dissociative motions, and electronic excitations. Volume 101 in the Advances in Chemical Physics series, Chemical Reactions and Their Control on the Femtosecond Time Scale details their extraordinary findings, presented at the XXth Solvay Conference on Chemistry, in Brussels. The studies reflect the work, in part, of the Conference's 65 participants, including many prominent contributors. Together they shed light on the laser's enhanced technical range in the area of coherent control of chemical reactions as well as of more general quantum systems. The theoretical fundamentals of femtochemistry, the unique behavior of the femtosecond laser, and a view toward future technological applications were also discussed. An exceptionally up-to-date examination of the chemical analyses made possible by the femtosecond laser, Chemical Reactions and Their Control on the Femtosecond Time Scale is an important reference for professionals and students interested in enhancing their research capabilities with this remarkable tool. From 1993 to 1996, she worked with Dr. P. Gaspard at the Universite Libre de Bruxelles, Belgium, on the application of new semiclassical techniques to elementary chemical reaction processes.
Book Synopsis Dynamics of Ion-Molecule Complexes by : William L Hase
Download or read book Dynamics of Ion-Molecule Complexes written by William L Hase and published by Elsevier. This book was released on 2016-07-29 with total page 329 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Classical Trajectory Methods, Volume 2: Dynamics of Ion-Molecule Complexes is a seven-chapter text that covers the considerable advances in the experimental and theoretical aspects of ion-molecular complexes, with particular emphasis on the dynamics and kinetics of their formation and ensuing unimolecular dissociation. This text also considers the development and testing of theoretical models for these formation and decomposition processes. The opening chapters discuss photoelectron photoion coincidence, ion cyclotron resonance, and crossed molecular beam studies of metastable ion-molecule complexes formed in ion-molecule collisions. These experimental studies involve comparisons with the predictions of statistical models, such as the Rice-Ramsperger-Kassel-Marcus and phase space theories, and comparisons with the reaction dynamics predicted by classical trajectory calculations. The succeeding chapter describes the double-well model for ion-molecular reactions taking place on a potential energy surface with a central barrier that separates two potential energy minima. These topics are followed by reviews of the quantum chemical calculation and reaction path Hamiltonian analysis of SN2 reactions, the transition state theory for ion-dipole and ion-quadrupole capture, and the capture and dynamical models for ion-molecule association to form a complex. The remaining chapters consider the temperature dependence of ion-molecule reactions, which proceed on a surface with many potential energy minima, specifically the ability to establish asymptotic limits for the reaction efficiency dependent upon the number of potential minima and the above relative probabilities. This book is of great value to experimental and theoretical chemists and physicists.
Book Synopsis Quantum Systems in Chemistry and Physics by : Kiyoshi Nishikawa
Download or read book Quantum Systems in Chemistry and Physics written by Kiyoshi Nishikawa and published by Springer Science & Business Media. This book was released on 2012-12-12 with total page 574 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum Systems in Chemistry and Physics: Progress in Methods and Applications is a collection of 33 selected papers from the scientific contributions presented at the 16th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XVI), held at Ishikawa Prefecture Museum of Art in Kanazawa, Japan, from September 11th to 17th, 2011. The volume discusses the state of the art, new trends, and the future of methods in molecular quantum mechanics and their applications to a wide range of problems in physics, chemistry, and biology. The breadth and depth of the scientific topics discussed during QSCP-XVI appears in the classification of the contributions in six parts: I. Fundamental Theory II. Molecular Processes III. Molecular Structure IV. Molecular Properties V. Condensed Matter VI. Biosystems. Quantum Systems in Chemistry and Physics: Progress in Methods and Applications is written for advanced graduate students as well as for professionals in theoretical chemical physics and physical chemistry. The book covers current scientific topics in molecular, nano, material, and bio sciences and provides insights into methodological developments and applications of quantum theory in physics, chemistry, and biology that have become feasible at end of 2011.
