Download or read book Spectroscopy of Condensed Media written by C.H. Wang and published by Elsevier. This book was released on 2012-12-02 with total page 371 pages. Available in PDF, EPUB and Kindle. Book excerpt: Spectroscopy of Condensed Media: Dynamics of Molecular Interactions discusses the use of molecular spectroscopy (including nuclear magnetic resonance [NMR] and nonlinear optical spectroscopy) in dynamic processes in condensed molecular systems. The book reviews relationship between transition probability and the time-correlation function of an isotropic electric dipole system, linear-response theory, and light scattering resulting from the translational motion of molecules in fluids. The text describes molecular rotation, theories of angular momentum, nuclear magnetic resonance, and spontaneous and coherent Raman effects. Closely related with the Raman and Brillouin scattering are vibrational dephasing, relaxation processes, and dynamics of phase transition solids. The book highlights the advantages of using NMR and also explains the basic concepts, such as local field, spin temperature, and effective Hamiltonians, that are employed in interpreting NMR experiments. The investigator can use nonlinear optical spectroscopy to study condensed matter. The text also cites two methods in which the investigator can control the time-dependent average Hamiltonian by (1) manipulating the intensity, timing, phase of the pulses, or (2) by sample spinning. The book is intended for advanced graduate students in physical chemistry that will equally benefit both investigators and scientists involved in physics research.
Download or read book Condensed Phase Molecular Spectroscopy and Photophysics written by Anne Myers Kelley and published by John Wiley & Sons. This book was released on 2012-11-15 with total page 252 pages. Available in PDF, EPUB and Kindle. Book excerpt: An introduction to one of the fundamental tools in chemical research—spectroscopy and photophysics in condensed-phase and extended systems A great deal of modern research in chemistry and materials science involves the interaction of radiation with condensed-phase systems such as molecules in liquids and solids as well as molecules in more complex media, molecular aggregates, metals, semiconductors, and composites. Condensed-Phase Molecular Spectroscopy and Photophysics was developed to fill the need for a textbook that introduces the basics of traditional molecular spectroscopy with a strong emphasis on condensed-phase systems. It also examines optical processes in extended systems such as metals, semiconductors, and conducting polymers, and addresses the unique optical properties of nanoscale systems. Condensed-Phase Molecular Spectroscopy and Photophysics begins with an introduction to quantum mechanics that sets a solid foundation for understanding the text's subsequent topics, including: Electromagnetic radiation and radiation-matter interactions Molecular vibrations and infrared spectroscopy Electronic spectroscopy Photophysical processes and light scattering Nonlinear and pump-probe spectroscopies Electron transfer processes Each chapter contains problems ranging from simple to complex, enabling readers to gradually build their skills and problem-solving abilities. Written for upper-level undergraduate and graduate courses in physical and materials chemistry, this text is uniquely designed to equip readers to solve a broad array of current problems and challenges in chemistry.
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.
Download or read book Spectroscopy of Condensed Phase Systems written by Steven Thomas Shipman and published by . This book was released on 2005 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Condensed Phase Molecular Spectroscopy and Photophysics written by Anne Myers Kelley and published by John Wiley & Sons. This book was released on 2022-10-18 with total page 436 pages. Available in PDF, EPUB and Kindle. Book excerpt: Condensed-Phase Molecular Spectroscopy and Photophysics An introduction to one of the fundamental tools in chemical research—spectroscopy and photophysics in condensed-phase and extended systems Condensed-Phase Molecular Spectroscopy and Photophysics comprehensively covers radiation-matter interactions for molecules in condensed phases along with metallic and semiconductor nanostructures, examining optical processes in extended systems such as metals, semiconductors, and conducting polymers and addressing the unique optical properties of nanoscale systems. The text differs from others through its emphasis on the molecule-environment interactions that strongly influence spectra in condensed phases, including spectroscopy and photophysics of molecular aggregates, molecular solids, and metals and semiconductors, as well as more modern topics such as two-dimensional and single-molecule spectroscopy. To aid in reader comprehension, the text includes case studies and illustrated examples. An online manual with solutions to the problems in the book is available to all readers on a companion website. Condensed-Phase Molecular Spectroscopy and Photophysics begins with an introduction to quantum mechanics that sets a solid foundation for understanding the text’s subsequent topics, including: Electromagnetic radiation and radiation-matter interactions, molecular vibrations and infrared spectroscopy, and electronic spectroscopy Photophysical processes and light scattering, nonlinear and pump-probe spectroscopies, and electron transfer processes Basic rotational spectroscopy and statistical mechanics, Raman scattering, 2D and single-molecule spectroscopies, and time-domain pictures of steady-state spectroscopies Time-independent quantum mechanics, statistical mechanics, group theory, radiation-matter interactions, and system-bath interactions Atomic spectroscopy, photophysical processes, light scattering, nonlinear and pump-probe spectroscopies, two-dimensional spectroscopies, and metals and plasmons Written for researchers and upper-level undergraduate and graduate courses in physical and materials chemistry, Condensed-Phase Molecular Spectroscopy and Photophysics is a valuable learning resource that is uniquely designed to equip readers to solve a broad array of current problems and challenges in the vast field of chemistry.
Download or read book Building Models of Spectroscopy for Condensed Phase Systems with Atomistic Detail Using Theory and Machine Learning written by Michael Stephen Chen and published by . This book was released on 2023 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Spectroscopic techniques provide us with a means of investigating a system's microscopic structure and dynamics. Accurate atomistic simulations can help us explicitly connect spectroscopic features to the underlying electronic and nuclear structure and dynamics that give rise to them. In this dissertation, I highlight my work in rendering accurate atomistic simulations of different linear and multidimensional spectroscopies more computationally tractable by leveraging semiclassical approaches for theoretically treating spectroscopies and developing machine learning (ML) models to serve as proxies for ab initio electronic structure calculations. Chapter 1 provides a quick overview of the ML approaches I employed and theoretical background for how I used molecular dynamics (MD) simulations to simulate different spectroscopies. Chapter 2 presents work I have conducted in training ML potential energy surfaces for liquid water using transfer learning to target high-level ab initio electronic structure theories in order to accurately and efficiently conduct MD simulations. In Chapters 3 and 4, I develop ML models for electronic excitation energies in order to simulate linear and 2D electronic absorption spectroscopies for various solvated chromophore systems and highlight the inability of TDDFT to treat the extent to which hydrogen-bonding affects the distribution of excitation energies. Lastly, Chapter 5 highlights my work in developing a theoretical framework to simulate novel time-resolved X-ray diffraction experiments, which can be used to probe the orientational structural dynamics of disordered condensed phase systems, and benchmarking with results for liquid chloroform.
Download or read book Chemical Dynamics in Condensed Phases written by Abraham Nitzan and published by Oxford University Press. This book was released on 2006-04-06 with total page 743 pages. Available in PDF, EPUB and Kindle. Book excerpt: Graduate level textbook presenting some of the most fundamental processes that underlie physical, chemical and biological phenomena in complex condensed phase systems. Includes in-depth descriptions of relevant methodologies, and provides ample introductory material for readers of different backgrounds.
Download or read book Ultrafast Dynamics of Condensed Phase Systems written by and published by . This book was released on 2000 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this final report, we describe the results of our ONR-funded research project in theoretical and computational chemistry. We briefly review our ONR-supported work in the following areas: (1) Development of methodology for simulating nonadiabatic dynamics in molecular systems. (2) A proposal for a new type of direct spectroscopy of ultrafast many-body bath dynamics, called nanoscale shock wave spectroscopy, and the results of molecular dynamics simulations describing its theoretical implementation.
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.
Download or read book Evanescent wave Cavity Ring down Spectroscopy Applied to Condensed phase Systems written by Theresa Ellen Hannon and published by . This book was released on 2005 with total page 294 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Dynamical Spectroscopy written by James Brian Almy and published by . This book was released on 1999 with total page 336 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Temperature Dependent Linear and Non linear Optical Spectroscopy for Condensed Phase Systems written by Mohamad Toutounji and published by . This book was released on 1998 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applications of the 4-point correlation function are limited to impulsive 2-pulse photon echo (IPE) signals. IPE signals are generated for different values of the Huang-Rhys factor (S) at a fixed temperature and at different temperatures for a fixed value of S in order to see how the echo profile changes as which reflects the contribution of the phonon sideband, followed by vibrational oscillations (quantum beats) due to linear electron-phonon coupling and a slow exponential decay, on picosecond time scales, due to the zero-phonon line are observed in the IPE signals. Application of IPE to the special pair absorption band of the bacterial reaction center is also included.
Download or read book Studies of Spectral Broadening Mechanisms and Correlations in Condensed Phase Systems written by Hannah Mariam Sevian and published by . This book was released on 1992 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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.
Download or read book Core Level Spectroscopy in Condensed Systems written by Junjiro Kanamori and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: Core-level Spectroscopy in Condensed Systems describes how recent improvement of various experimental methods, together with new light and x-ray sources, have provided fresh information about the electronic states and atomic structures of a wide variety of materials. The topics coveredrange from the high-energy spectroscopy of bulk electronic states of rare-earth and transition metals and compounds, including high T superconductors, to recent developments in photoelectron diffraction and other surface problems, all with emphasis on theoretical aspects.
Download or read book Ultrafast Electronic Spectroscopy of Simple Molecular Systems in the Condensed Phase written by Matthew F. Wolford and published by . This book was released on 2002 with total page 204 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computational Spectroscopy of Molecular Dynamics Phenomena in Condensed Phase written by Svetlana Pylaeva and published by . This book was released on 2019* with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Spectroscopy; AIMD; Hydrogen bond; IDP.
