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Condensed Phase Dynamics Elucidated By Linear And Nonlinear Vibrational Spectroscopy
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Book Synopsis Condensed Phase Dynamics Elucidated by Linear and Nonlinear Vibrational Spectroscopy by : Ryan Bradford Williams
Download or read book Condensed Phase Dynamics Elucidated by Linear and Nonlinear Vibrational Spectroscopy written by Ryan Bradford Williams and published by . This book was released on 2001 with total page 374 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Predicting Vibrational Spectra of Condensed Phase Systems by : Martin Brehm
Download or read book Predicting Vibrational Spectra of Condensed Phase Systems written by Martin Brehm and published by . This book was released on 2023* with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vibrational spectroscopy; analytical chemistry; condensed phase; molecular dynamics; computer simulations; infrared spectroscopy; Raman spectroscopy.
Book Synopsis Ultrafast Measurement of Chemical Dynamics in the Condensed Phase Using Transient Vibrational Spectroscopy by : Xiaobing Xu
Download or read book Ultrafast Measurement of Chemical Dynamics in the Condensed Phase Using Transient Vibrational Spectroscopy written by Xiaobing Xu and published by . This book was released on 1991 with total page 308 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Development of "first Principles" Methods for Modeling Vibrational Spectra in Condensed Phases by : Gregory R. Medders
Download or read book Development of "first Principles" Methods for Modeling Vibrational Spectra in Condensed Phases written by Gregory R. Medders and published by . This book was released on 2015 with total page 142 pages. Available in PDF, EPUB and Kindle. Book excerpt: Due to the sensitivity of molecular vibrational frequencies and intensities on the surrounding environment, vibrational spectroscopies in principle enable the study of solvation structure and dynamics. Connecting the observed spectral features to a molecular-level picture is, however, often non-trivial. While computer simulations of molecular dynamics represent a potentially powerful tool for developing this molecular-level understanding, the accurate simulation of vibrational spectroscopies in condensed phases poses significant challenges due to the sensitivity of the spectra on both the underlying molecular interactions and the difficulty of obtaining a (statistically meaningful) treatment of the quantum dynamics. In this work, we begin by assessing the ability of different molecular models to reproduce thousands of reference two- and three-body interaction energies calculated at the current "gold standard" level of electronic structure theory, CCSD(T). As described in Chapter 2, these results led us to develop a potential energy surface, named MB-pol, that was fitted exclusively to large datasets of CCSD(T) many-body interaction energies. Crucially, MB-pol was designed to be computationally tractable for condensed phase simulations without sacrificing accuracy. MB-pol reproduces experimental measurements of small cluster properties, as well as thermodynamic and dynamical properties of bulk water at ambient conditions, without containing any empirically derived parameters (Chapter 3). However, unlike the electronic structure calculations to which it is fitted, the MB- pol PES contains no explicit knowledge of the electron distribution, which is required for the calculation of vibrational spectra. To this end, in Chapter 4 we demonstrate that the many-body expansions of the dipole and polarizability also converge for water. Based on this finding, in Chapter 5 we introduce many-body models for the dipole moment and polarizability of water, allowing us to rigorously model IR and Raman spectra from "first principles," through the respective (approximate) quantum time correlation functions. In Chapter 6, we disentangle the contributions of the potential energy and dipole moment surfaces to the IR activity of liquid water. Finally, we conclude in Chapter 7 by reflecting on possible future applications, including the application of the MB-MD approach to the calculation of nonlinear vibrational spectra.
Download or read book Condensed-phase Dynamics written by and published by . This book was released on 1990 with total page 104 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 Theoretical Methods in Condensed Phase Chemistry by : S.D. Schwartz
Download or read book Theoretical Methods in Condensed Phase Chemistry written by S.D. Schwartz and published by Springer Science & Business Media. This book was released on 2002-05-31 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is meant to provide a window on the rapidly growing body of theoretical studies of condensed phase chemistry. A brief perusal of physical chemistry journals in the early to mid 1980’s will find a large number of theor- ical papers devoted to 3-body gas phase chemical reaction dynamics. The recent history of theoretical chemistry has seen an explosion of progress in the devel- ment of methods to study similar properties of systems with Avogadro’s number of particles. While the physical properties of condensed phase systems have long been principle targets of statistical mechanics, microscopic dynamic theories that start from detailed interaction potentials and build to first principles predictions of properties are now maturing at an extraordinary rate. The techniques in use range from classical studies of new Generalized Langevin Equations, semicl- sical studies for non-adiabatic chemical reactions in condensed phase, mixed quantum classical studies of biological systems, to fully quantum studies of m- els of condensed phase environments. These techniques have become sufficiently sophisticated, that theoretical prediction of behavior in actual condensed phase environments is now possible. and in some cases, theory is driving development in experiment. The authors and chapters in this book have been chosen to represent a wide variety in the current approaches to the theoretical chemistry of condensed phase systems. I have attempted a number of groupings of the chapters, but the - versity of the work always seems to frustrate entirely consistent grouping.
Book Synopsis Advances In Multi-photon Processes And Spectroscopy, Vol 12 by : Minhaeng Cho
Download or read book Advances In Multi-photon Processes And Spectroscopy, Vol 12 written by Minhaeng Cho and published by World Scientific. This book was released on 1999-05-14 with total page 309 pages. Available in PDF, EPUB and Kindle. Book excerpt: In view of the rapid growth in both experimental and theoretical studies of multi-photon processes and multi-photon spectroscopy of atoms, ions and molecules in chemistry, physics, biology, materials science, etc., it is desirable to publish an advanced series containing review papers that can be read not only by active researchers in these areas, but also by those who are not experts but who intend to enter the field. The present series attempts to serve this purpose. Each review article is written in a self-contained manner by the experts in the area, so that the reader can grasp the knowledge without too much preparation.
Book Synopsis Dissertation Abstracts International by :
Download or read book Dissertation Abstracts International written by and published by . This book was released on 2007 with total page 960 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics by : Bruce J Berne
Download or read book Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics written by Bruce J Berne and published by World Scientific. This book was released on 1998-06-17 with total page 881 pages. Available in PDF, EPUB and Kindle. Book excerpt: The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.
Author :Janice M. Hicks Publisher :SPIE-International Society for Optical Engineering ISBN 13 : Total Pages :330 pages Book Rating :4.3/5 (91 download)
Book Synopsis Laser Techniques for Condensed-phase and Biological Systems by : Janice M. Hicks
Download or read book Laser Techniques for Condensed-phase and Biological Systems written by Janice M. Hicks and published by SPIE-International Society for Optical Engineering. This book was released on 1998 with total page 330 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 860 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 Nonlinear Dynamics and Chaos by : Steven H. Strogatz
Download or read book Nonlinear Dynamics and Chaos written by Steven H. Strogatz and published by CRC Press. This book was released on 2018-05-04 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook is aimed at newcomers to nonlinear dynamics and chaos, especially students taking a first course in the subject. The presentation stresses analytical methods, concrete examples, and geometric intuition. The theory is developed systematically, starting with first-order differential equations and their bifurcations, followed by phase plane analysis, limit cycles and their bifurcations, and culminating with the Lorenz equations, chaos, iterated maps, period doubling, renormalization, fractals, and strange attractors.
Book Synopsis Journal by : American Chemical Society
Download or read book Journal written by American Chemical Society and published by . This book was released on 2004 with total page 980 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Scientific and Technical Aerospace Reports by :
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1990 with total page 268 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis The (semi-) Classical Vibrational Echo by : William George Noid
Download or read book The (semi-) Classical Vibrational Echo written by William George Noid and published by . This book was released on 2005 with total page 622 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Vibrational Spectroscopy in Life Science by : Friedrich Siebert
Download or read book Vibrational Spectroscopy in Life Science written by Friedrich Siebert and published by John Wiley & Sons. This book was released on 2008-07-15 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt: The authors describe basic theoretical concepts of vibrational spectroscopy, address instrumental aspects and experimental procedures, and discuss experimental and theoretical methods for interpreting vibrational spectra. It is shown how vibrational spectroscopy provides information on general aspects of proteins, such as structure, dynamics, and protein folding. In addition, the authors use selected examples to demonstrate the application of Raman and IR spectroscopy to specific biological systems, such as metalloproteins, and photoreceptors. Throughout, references to extensive mathematical and physical aspects, involved biochemical features, and aspects of molecular biology are set in boxes for easier reading. Ideal for undergraduate as well as graduate students of biology, biochemistry, chemistry, and physics looking for a compact introduction to this field.
