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Simulation Of Photofragmentation Dynamics Of Small Molecules
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Book Synopsis Advances in Molecular Vibrations and Collision Dynamics by :
Download or read book Advances in Molecular Vibrations and Collision Dynamics written by and published by Elsevier. This book was released on 1998-09-25 with total page 473 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume focuses on molecular clusters, bound by van der Waals interactions and hydrogen bonds. Twelve chapters review a wide range of recent theoretical and experimental advances in the areas of cluster vibrations, spectroscopy, and reaction dynamics. The authors are leading experts, who have made significant contributions to these topics.The first chapter describes exciting results and new insights in the solvent effects on the short-time photo fragmentation dynamics of small molecules, obtained by combining heteroclusters with femtosecond laser excitation. The second is on theoretical work on effects of single solvent (argon) atom on the photodissociation dynamics of the solute H2O molecule. The next two chapters cover experimental and theoretical aspects of the energetics and vibrations of small clusters. Chapter 5 describes diffusion quantum Monte Carlo calculations and non additive three-body potential terms in molecular clusters. The next six chapters deal with hydrogen-bonded clusters, reflecting the ubiquity and importance of hydrogen-bonded networks. The final chapter provides the microscopic theory of the dynamics and spectroscopy of doped helium cluster, highly quantum systems whose unusual properties have been studied extensively in the past couple of years.
Book Synopsis Photodissociation Dynamics by : Reinhard Schinke
Download or read book Photodissociation Dynamics written by Reinhard Schinke and published by Cambridge University Press. This book was released on 1995-05-11 with total page 446 pages. Available in PDF, EPUB and Kindle. Book excerpt: Photodissociation induced by the absorption of single photons permits the detailed study of molecular dynamics such as the breaking of bonds, internal energy transfer and radiationless transitions. The availability of powerful lasers operating over a wide frequency range has stimulated rapid development of new experimental techniques which make it possible to analyse photodissociation processes in unprecedented detail. This text elucidates the achievements in calculating photodissociation cross-sections and fragment state distributions from first principles, starting from multi-dimensional potential energy surfaces and the Schrödinger equation of nuclear motion. Following an extended introduction in which the various types of observables are outlined, the book summarises the basic theoretical tools, namely the time-independent and the time-dependent quantum mechanical approaches as well as the classical picture of photodissociation. The discussions of absorption spectra, diffuse vibrational structures, the vibrational and rotational state distributions of the photofragments form the core of the book. More specific topics such as the dissociation of vibrationally excited molecules, emission during dissociation, or nonadiabatic effects are also discussed. It will be of interest to graduate students and senior scientists working in molecular physics, spectroscopy, molecular collisions and molecular kinetics.
Download or read book Protocells written by Steen Rasmussen and published by MIT Press. This book was released on 2022-06-07 with total page 723 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first comprehensive general resource on state-of-the-art protocell research, describing current approaches to making new forms of life from scratch in the laboratory. Protocells offers a comprehensive resource on current attempts to create simple forms of life from scratch in the laboratory. These minimal versions of cells, known as protocells, are entities with lifelike properties created from nonliving materials, and the book provides in-depth investigations of processes at the interface between nonliving and living matter. Chapters by experts in the field put this state-of-the-art research in the context of theory, laboratory work, and computer simulations on the components and properties of protocells. The book also provides perspectives on research in related areas and such broader societal issues as commercial applications and ethical considerations. The book covers all major scientific approaches to creating minimal life, both in the laboratory and in simulation. It emphasizes the bottom-up view of physicists, chemists, and material scientists but also includes the molecular biologists' top-down approach and the origin-of-life perspective. The capacity to engineer living technology could have an enormous socioeconomic impact and could bring both good and ill. Protocells promises to be the essential reference for research on bottom-up assembly of life and living technology for years to come. It is written to be both resource and inspiration for scientists working in this exciting and important field and a definitive text for the interested layman.
Download or read book ERDA Energy Research Abstracts written by and published by . This book was released on 1987 with total page 652 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Energy Research Abstracts written by and published by . This book was released on 1994 with total page 444 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Dissertation Abstracts International by :
Download or read book Dissertation Abstracts International written by and published by . This book was released on 1997 with total page 824 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Femtochemistry and Femtobiology by : Abderrazzak Douhal
Download or read book Femtochemistry and Femtobiology written by Abderrazzak Douhal and published by World Scientific. This book was released on 2002 with total page 854 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Molecular Materials by : Duncan W. Bruce
Download or read book Molecular Materials written by Duncan W. Bruce and published by John Wiley & Sons. This book was released on 2011-04-04 with total page 455 pages. Available in PDF, EPUB and Kindle. Book excerpt: “... the book does an excellent job of putting together several different classes of materials. Many common points emerge, and the book may facilitate the development of hybrids in which the qualities of the “parents” are enhanced.” –Angew. Chem. Int. Ed. 2011 With applications in optoelectronics and photonics, quantum information processing, nanotechnology and data storage, molecular materials enrich our daily lives in countless ways. These materials have properties that depend on their exact structure, the degree of order in the way the molecules are aligned and their crystalline nature. Small, delicate changes in molecular structure can totally alter the properties of the material in bulk. There has been increasing emphasis on functional metal complexes that demonstrate a wide range of physical phenomena. Molecular Materials represents the diversity of the area, encapsulating magnetic, optical and electrical properties, with chapters on: Metal-Based Quadratic Nonlinear Optical Materials Physical Properties of Metallomesogens Molecular Magnetic Materials Molecular Inorganic Conductors and Superconductors Molecular Nanomagnets Structured to include a clear introduction, a discussion of the basic concepts and up-to-date coverage of key aspects, each chapter provides a detailed review which conveys the excitement of work in that field. Additional volumes in the Inorganic Materials Series: Low-Dimensional Solids | Molecular Materials | Porous Materials | Energy Materials
Book Synopsis Time-Resolved Vibrational Spectroscopy VI by : Albrecht Lau
Download or read book Time-Resolved Vibrational Spectroscopy VI written by Albrecht Lau and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 270 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Sixth International Conference on Time-Resolved Vibrational Spectroscopy was held from May 23 to 28, 1993 in Berlin, Germany. It continued the series of biennial conferences initiated in 1982 by Prof. George Atkinson (University of Arizona) at Lake Placid, USA, followed by conferences which were chaired by Prof. Alfred Laubereau (University of Bayreuth) and Dr. Manfred Stockburger (Max-Planck-Institut, G6ttingen) at Bayreuth-Bischofsgrtin, Germany, in 1985, by Prof. Joop D.W. Van Voorst (University of Amsterdam) at Amersfoort, The Netherlands, in 1987, Prof. Thomas G. Spiro (Princeton University) at Princeton, USA, in 1989, and by Prof. Hiroaki Takahashi (Waseda University) at Tokyo, Japan, in 1991. The Berlin conference attracted 120 participants from 19 different countries, representing the most active scientific groups of the world in this field. Since 1982 the field has benefited from the development of lasers with shorter pulses and of reliable tunable light sources in the infrared. Now, the main activities are focused on the primary photo-induced processes and their excited-state dynamics and on detailed investigations in photochemistry and photobiology. The high quality of the contributions given at this conference is reflected in this proceedings volume and will provide all scientists interested in this field with current state-of-the-art results.
Book Synopsis Journal of Current Laser Abstracts by :
Download or read book Journal of Current Laser Abstracts written by and published by . This book was released on 1990 with total page 624 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Theory of Atomic and Molecular Clusters by : Julius Jellinek
Download or read book Theory of Atomic and Molecular Clusters written by Julius Jellinek and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 438 pages. Available in PDF, EPUB and Kindle. Book excerpt: The emergence and spectacularly rapid evolution of the field of atomic and molecular clusters are among the most exciting developments in the recent history of natural sciences. The field of clusters expands into the traditional disciplines of physics, chemistry, materials science, and biology, yet in many respects it forms a cognition area of its own. This book presents a cross section of theoretical approaches and their applications in studies of different cluster systems. The contributions are written by experts in the respective areas. The systems discussed range from weakly (van der Waals) bonded, through hydrogen- and covalently bonded, to semiconductor and metallic clusters. The theoretical approaches involve high-level electronic structure computations, more approximate electronic structure treatments, use of semiempirical potentials, dynamical and statistical analyses, and illustrate the utility of both classical and quantum mechanical concepts.
Book Synopsis Reaction Dynamics Involving Ions, Radicals, Neutral and Excited Species by : Stefano Falcinelli
Download or read book Reaction Dynamics Involving Ions, Radicals, Neutral and Excited Species written by Stefano Falcinelli and published by Frontiers Media SA. This book was released on 2020-01-22 with total page 345 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis The Chemistry of Soils by : Garrison Sposito
Download or read book The Chemistry of Soils written by Garrison Sposito and published by Oxford University Press. This book was released on 2016 with total page 273 pages. Available in PDF, EPUB and Kindle. Book excerpt: A revised edition to the bestselling "The Chemistry of Soils" incorporating new research from the last eight years in the fields of environmental chemistry, ecosystem biogeochemistry, and scientific agriculture.
Book Synopsis Reaction Dynamics in Clusters and Condensed Phases by : Joshua Jortner
Download or read book Reaction Dynamics in Clusters and Condensed Phases written by Joshua Jortner and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 562 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Twenty Sixth 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 topic at this year's Jerusalem Symposium was reaction dynamics in clusters and condensed phases, which constitutes a truly interdisciplinary subject of central interest in the areas of chemical dynamics, kinetics, photochemistry and condensed matter chemical physics. The main theme of the Symposium was built around the exploration of the interrelationship between the dynamics in large finite clusters and in infinite bulk systems. The main issues addressed microscopic and macroscopic sol vation phenomena, cluster and bulk spectroscopy, photodissociation and vibrational predissociation, cage effects, interphase dynamics, reaction dynamics and energy transfer in clusters, dense fluids, liquids, solids and biophysical systems. The interdisciplinary nature of this research area was deliberated by intensive and extensive interactions between modern theory and advanced experimental methods. This volume provides a record of the invited lectures at the Symposium.
Book Synopsis State Selected and State-to-State Ion-Molecule Reaction Dynamics, Volume 82, Part 1 by : Cheuk-Yiu Ng
Download or read book State Selected and State-to-State Ion-Molecule Reaction Dynamics, Volume 82, Part 1 written by Cheuk-Yiu Ng and published by John Wiley & Sons. This book was released on 2009-09-09 with total page 702 pages. Available in PDF, EPUB and Kindle. Book excerpt: State-Selected and State-to-State Ion-Molecules Reaction Dynamics details the recent experimental and theoretical accomplishments in the field to date by some of its foremost researchers and theorists. Divided into two parts, each of which separately describe the experimental and theoretical aspects of the field, State-Selected and State-to-State Ion-Molecule Reaction Dynamics is an accessible, well organized look at a highly useful and emerging chemical specialty. Part 1, "Experiment," contains eight in-depth studies, which illustrate the key experimental work being done in the field today: Chapter 1 provide a comprehensive review of the theory and application of inhomogeneous rf fields for the study of the dynamics of low-energy ion-molecules processes Chapter 2 describes the application of multiphoton ionization (MPI) for the preparation of reactant ion states Chapter 3 reviews the application of MPI schemes for state specific cross-section measurements involving transition metal cations Chapter 4 describes the development of the threshold photoelectron secondary ion coincidence (TESICO) method Chapter 5 presents the conceptual and practical aspects of a multicoincidence technique Chapter 6 details the experimental results obtained using the photoionization and differential reactivity methods Chapter 7 reviews the several recent crossed beam studies of charge transfer and collision-induced dissociation systems involving atomic and molecular ions Chapter 8 is a survey of 15 years of high resolution crossed beam scattering of protons with atoms, diatoms, and poly-atomic molecules State-Selected and State-to-State Ion-Molecule Reaction Dynamics, Part 1: Experiment offers professionals a true state-of-the-science look at this fascinating and increasingly influential subject.
Book Synopsis Physics and Chemistry of Small Clusters by : P. Jena
Download or read book Physics and Chemistry of Small Clusters written by P. Jena and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 932 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent advances in experimental techniques now enable researchers to produce in a laboratory clusters of atoms of desired composition from any of the elements of the periodic table. This has created a new area of research into novel materials since clusters cannot be regarded either as a "large" molecule or as a fragment of the bulk. Both experimental and theoretical studies are revealing unusual properties that are not ob served in solid state environments. The structures of micro-clusters are found to be significantly distorted from the most symmetric arrangement, some even exhibiting pentagonal symmetry commonly found in icosahedric structures. The unusual stability of certain clusters, now described as "magic number species", shows striking similarities with the nuclear shell structure. The relative stabilities of clusters depend not only on the composition of the clusters but also on their charged states. The studies on spontaneous fragmentation of mUltiply charged clusters, commonly referred to as Coulomb explosion, illustrate the role of electronic bonding mechanisms on stability of clusters. The effect of foreign atoms on geometry and stability of clusters and the interaction of gas atoms with clusters are showing promise for an indepth understanding of chemisorption and catalysis. The magnetic and optical properties are dependent not only on cluster size but also on its geometry. These findings have the potential for aiding industry in the area of micro-electronics and catalysis.
Book Synopsis American Doctoral Dissertations by :
Download or read book American Doctoral Dissertations written by and published by . This book was released on 2002 with total page 776 pages. Available in PDF, EPUB and Kindle. Book excerpt:
