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Vibrational Dynamics Of Molecules
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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 Coherent Vibrational Dynamics by : Guglielmo Lanzani
Download or read book Coherent Vibrational Dynamics written by Guglielmo Lanzani and published by CRC Press. This book was released on 2007-11-29 with total page 286 pages. Available in PDF, EPUB and Kindle. Book excerpt: Remarkable developments in the spectroscopy field regarding ultrashort pulse generation have led to the possibility of producing light pulses ranging from 50 to5 fs and frequency tunable from the near infrared to the ultraviolet range. Such pulses enable us to follow the coupling of vibrational motion to the electronic transitions in molecules and
Book Synopsis Vibration-Rotational Spectroscopy and Molecular Dynamics by : D Papoušek
Download or read book Vibration-Rotational Spectroscopy and Molecular Dynamics written by D Papoušek and published by World Scientific. This book was released on 1997-10-31 with total page 576 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book reviews the results of vibration-rotational spectroscopy of molecules obtained recently by combining modern computational methods of quantum chemistry with the new techniques of high-resolution rotational and vibration-rotational spectroscopy. It shows for example that the tunneling vibration-rotational spectroscopy of the van der Waals complexes provides a new look at intermolecular forces while the high precision and sensitivity of the submillimeter-wave and Fourier transform microwave spectroscopy make it possible to study complex rotational spectra of molecules in excited vibrational states. New results of high level ab initio quantum chemical computations of vibrational and rotational energy levels and dipole moment functions of unusual molecules will be discussed together with the recent discovery of clustering of energy levels in asymmetric tops. Group theoretical analysis of floppy molecules, especially the tunneling effects in nonrigid molecules, will also be discussed. Contents:High-Resolution Spectroscopy of Transient Molecules and Its Applications to Molecular Dynamics (E Hirota & Y Endo)Vibration-Rotation Spectra of Reactive Molecules: Interplay of Ab Initio Calculations and High-Resolution Experimental Studies (H Bürger & W Thiel)Rotational Spectra of Symmetric Top Molecules: Correlation-Free Reduced Forms of Hamiltonians, Advances in Measuring Techniques, and Determination of Molecular Parameters from Experimental Data (K Sarka et al.)Hot Bands in Infrared Spectra of Symmetric Top and Some Other Molecules. A Useful Tool to Reach Hidden Information (G Graner & H Bürger)The Formation of Four-Fold Rovibrational Energy Clusters in H2S, H2Se, and H2Te (P Jensen et al.)Phase Angles in the Matrix Elements of Molecular Spectroscopy (C di Lauro & F Lattanzi)High-Resolution Infrared Spectroscopy and One-Dimensional Large Amplitude Motion in Asymmetric Tops: HNO3 and H2O2 (J-M Flaud & A Perrin)Extended Molecular Symmetry Groups: Symmetry Analysis of Molecules Consisting of Two Coaxial Rotors (P Soldán)Quantum-Mechanical Studies of Radiative Association Reactions: Formation of HeH+, NeH+ and ArH+ (W P Kraemer et al.) Readership: Chemists, astrophysicists, laser physicists and other general physicists. keywords:Transient and Reactive Molecules;Reduced Hamiltonians;Hot Bands;Rovibrational Energy Clusters;Phase Angles in Matrix Elements;Large Amplitude Vibrations;Molecular Symmetry Groups;Radiation Association Reactions
Book Synopsis Vibration-rotational Spectroscopy and Molecular Dynamics by : Du?an Papou?ek
Download or read book Vibration-rotational Spectroscopy and Molecular Dynamics written by Du?an Papou?ek and published by World Scientific. This book was released on 1997 with total page 578 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book reviews the results of vibration-rotational spectroscopy of molecules obtained recently by combining modern computational methods of quantum chemistry with the new techniques of high-resolution rotational and vibration-rotational spectroscopy. It shows for example that the tunneling vibration-rotational spectroscopy of the van der Waals complexes provides a new look at intermolecular forces while the high precision and sensitivity of the submillimeter-wave and Fourier transform microwave spectroscopy make it possible to study complex rotational spectra of molecules in excited vibrational states. New results of high level ab initio quantum chemical computations of vibrational and rotational energy levels and dipole moment functions of unusual molecules will be discussed together with the recent discovery of clustering of energy levels in asymmetric tops. Group theoretical analysis of floppy molecules, especially the tunneling effects in nonrigid molecules, will also be discussed.
Book Synopsis Molecular Spectroscopy and Quantum Dynamics by : Roberto Marquardt
Download or read book Molecular Spectroscopy and Quantum Dynamics written by Roberto Marquardt and published by Elsevier. This book was released on 2020-09-18 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Spectroscopy and Quantum Dynamics, an exciting new work edited by Professors Martin Quack and Roberto Marquardt, contains comprehensive information on the current state-of-the-art experimental and theoretical methods and techniques used to unravel ultra-fast phenomena in atoms, molecules and condensed matter, along with future perspectives on the field. Contains new insights into the quantum dynamics and spectroscopy of electronic and nuclear motion Presents the most recent developments in the detection and interpretation of ultra-fast phenomena Includes a discussion of the importance of these phenomena for the understanding of chemical reaction dynamics and kinetics in relation to molecular spectra and structure
Book Synopsis Molecular Quantum Dynamics by : Fabien Gatti
Download or read book Molecular Quantum Dynamics written by Fabien Gatti and published by Springer Science & Business Media. This book was released on 2014-04-09 with total page 281 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on current applications of molecular quantum dynamics. Examples from all main subjects in the field, presented by the internationally renowned experts, illustrate the importance of the domain. Recent success in helping to understand experimental observations in fields like heterogeneous catalysis, photochemistry, reactive scattering, optical spectroscopy, or femto- and attosecond chemistry and spectroscopy underline that nuclear quantum mechanical effects affect many areas of chemical and physical research. In contrast to standard quantum chemistry calculations, where the nuclei are treated classically, molecular quantum dynamics can cover quantum mechanical effects in their motion. Many examples, ranging from fundamental to applied problems, are known today that are impacted by nuclear quantum mechanical effects, including phenomena like tunneling, zero point energy effects, or non-adiabatic transitions. Being important to correctly understand many observations in chemical, organic and biological systems, or for the understanding of molecular spectroscopy, the range of applications covered in this book comprises broad areas of science: from astrophysics and the physics and chemistry of the atmosphere, over elementary processes in chemistry, to biological processes (such as the first steps of photosynthesis or vision). Nevertheless, many researchers refrain from entering this domain. The book "Molecular Quantum Dynamics" offers them an accessible introduction. Although the calculation of large systems still presents a challenge - despite the considerable power of modern computers - new strategies have been developed to extend the studies to systems of increasing size. Such strategies are presented after a brief overview of the historical background. Strong emphasis is put on an educational presentation of the fundamental concepts, so that the reader can inform himself about the most important concepts, like eigenstates, wave packets, quantum mechanical resonances, entanglement, etc. The chosen examples highlight that high-level experiments and theory need to work closely together. This book thus is a must-read both for researchers working experimentally or theoretically in the concerned fields, and generally for anyone interested in the exciting world of molecular quantum dynamics.
Book Synopsis Computational Techniques for Analytical Chemistry and Bioanalysis by : Philippe B. Wilson
Download or read book Computational Techniques for Analytical Chemistry and Bioanalysis written by Philippe B. Wilson and published by Royal Society of Chemistry. This book was released on 2020-12-10 with total page 383 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work will serve as a definitive overview of the field of computational simulation as applied to analytical chemistry and biology, drawing on recent advances as well as describing essential, established theory for graduates and postgraduate researchers.
Book Synopsis Molecular Dynamics and Spectroscopy by Stimulated Emission Pumping by : Hai-Lung Dai
Download or read book Molecular Dynamics and Spectroscopy by Stimulated Emission Pumping written by Hai-Lung Dai and published by World Scientific. This book was released on 1995 with total page 1148 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since the first stimulated emission pumping (SEP) experiments more than a decade ago, this technique has proven powerful for studying vibrationally excited molecules. SEP is now widely used by increasing numbers of research groups to investigate fundamental problems in spectroscopy, intramolecular dynamics, intermolecular interactions, and even reactions. SEP provides rotationally pre-selected spectra of vibrationally highly excited molecules undergoing large amplitude motions. A unique feature of SEP is the ability to access systematically a wide variety of extreme excitations localized in various parts of a molecule, and to prepare populations in specific, high vibrational levels. SEP has made it possible to ask and answer specific questions about intramolecular vibrational redistribution and the role of vibrational excitation in chemical reactions.
Book Synopsis Spectroscopy and Dynamics of Single Molecules by :
Download or read book Spectroscopy and Dynamics of Single Molecules written by and published by Elsevier. This book was released on 2019-08-14 with total page 402 pages. Available in PDF, EPUB and Kindle. Book excerpt: Spectroscopy and Dynamics of Single Molecules: Methods and Applications reviews the most recent developments in spectroscopic methods and applications. Spectroscopic techniques are the chief experimental methods for testing theoretical models and research in this area plays an important role in stimulating new theoretical developments in physical chemistry. This book provides an authoritative insight into the latest advances in the field, highlighting new techniques, current applications, and potential future developments An ideal reference for chemists and physicists alike, Spectroscopy and Dynamics of Single Molecules: Methods and Applications is a useful guide for all those working in the research, design, or application of spectroscopic tools and techniques across a wide range of fields. Includes the latest research on ultrafast vibrational and electronic dynamics, nonlinear spectroscopies, and single-molecule methods Makes the content accessible to researchers in chemistry, biophysics, and chemical physics through a rigorous multi-disciplinary approach Provides content edited by a world-renowned chemist with more than 30 years of experience in research and instruction
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 460 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 Dynamics of Molecules and Chemical Reactions by : Robert Wyatt
Download or read book Dynamics of Molecules and Chemical Reactions written by Robert Wyatt and published by CRC Press. This book was released on 1996-06-27 with total page 692 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covers both molecular and reaction dynamics. The work presents important theroetical and computational approaches to the study of energy transfer within and between molecules, discussing the application of these approaches to problems of experimental interest. It also describes time-dependent and time-independent methods, variational and perturbative techniques, iterative and direct approaches, and methods based upon the use of physical grids of finite sets of basic function.
Book Synopsis Optical Spectra and Lattice Dynamics of Molecular Crystals by : G.N. Zhizhin
Download or read book Optical Spectra and Lattice Dynamics of Molecular Crystals written by G.N. Zhizhin and published by Elsevier. This book was released on 1995-10-17 with total page 446 pages. Available in PDF, EPUB and Kindle. Book excerpt: The current volume is a single topic volume on the optical spectra and lattice dynamics of molecular crystals. The book is divided into two parts. Part I covers both the theoretical and experimental investigations of organic crystals. Part II deals with the investigation of the structure, phase transitions and reorientational motion of molecules in organic crystals. In addition appendices are given which provide the parameters for the calculation of the lattice dynamics of molecular crystals, procedures for the calculation of frequency eigenvectors of utilizing computers, and the frequencies and eigenvectors of lattice modes for several organic crystals. Quite a large amount of Russian literature is cited, some of which has previously not been available to scientists in the West.
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 Vibrational Energy Transfer Involving Large and Small Molecules by : John R. Barker
Download or read book Vibrational Energy Transfer Involving Large and Small Molecules written by John R. Barker and published by . This book was released on 1995 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Structural and Vibrational Dynamics of Molecular Solids Under Variable Temperature and Pressure by : Bohdan Hindulak Schatschneider
Download or read book Structural and Vibrational Dynamics of Molecular Solids Under Variable Temperature and Pressure written by Bohdan Hindulak Schatschneider and published by . This book was released on 2008 with total page 640 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Ultrafast Dynamics in Molecules, Nanostructures and Interfaces by : G G Gurzadyan
Download or read book Ultrafast Dynamics in Molecules, Nanostructures and Interfaces written by G G Gurzadyan and published by World Scientific. This book was released on 2014-01-22 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: Primary events in natural systems or devices occur on extremely short time scales, and yet determine in many cases the final performance or output. For this reason research in ultrafast science is of primary importance and impact in both fundamental research as well as its applications. This book reviews the advances in the field, addressing timely and open questions such as the role of quantum coherence in biology, the role of excess energy in electron injection at photovoltaic interfaces or the dynamics in quantum confined structures (e.g. multi carrier generation). The approach is that of a monograph, with a broad tutorial introduction and an overview of the recent results. This volume includes selected lectures presented at Symposium on Ultrafast Dynamics of the 7th International Conference on Materials for Advanced Technologies. Contents:Femtosecond Real-Time Vibrational Spectroscopy Using Ultrafast Laser Pulses (Takayoshi Kobayashi and Juan Du)Multidimensional Optical Spectroscopy Using a Pump-Probe Configuration: Some Implementation Details (Zhengyang Zhang and Howe-Siang Tan)High-Sensitivity Ultrafast Transient Absorption Spectroscopy of Organic Photovoltaic Devices (Alex J Barker, Kai Chen, Shyamal Prasad and Justin M Hodgkiss)Transient Absorption Data Analysis by Soft-Modelling (I A Howard, H Mangold, F Etzold, D Gehrig and F Laquai)Infrared Ultrafast Optical Probes of Photoexcitations in Π-Conjugated Polymers/Fullerene Blends for Photovoltaic Applications (C-X Sheng, U Huynh and Z V Vardeny)Ultrafast Optical Probing of Carrier Motion in Conjugated Polymers and Blends for Solar Cells (Vidmantas Gulbinas, Andrius Devizis, Domantas Peckus and Dirk Hertel)Singlet Fission in Organic Crystals (Lin Ma, Christian Kloc, Cesare Soci, Maria E Michel-Beyerle and Gagik G Gurzadyan)Mapping Carrier Diffusion in Single Silicon Core-Shell Nanowires with Ultrafast Optical Microscopy (Minah Seo, Jinkyoung Yoo, Shadi Dayeh, Julio Martinez, Brian Swartzentruber, Samuel Picraux, Antoinette Taylor and Rohit Prasankumar)Exciton Dynamics and Its Regulation Ability in Photosynthesis (V Balevicius, Jr, L Valkunas and D Abramavicius)Ultrafast Intramolecular Dynamics in Novel Star-Shaped Molecules for Photovoltaic Applications (Oleg V Kozlov, Yuriy N Luponosov, Sergei A Ponomarenko, Dmitry Yu Paraschuk, Nina Kausch-Busies and Maxim S Pshenichnikov)Nonlinear Spectroscopy of Interfaces and Its Application to Organic Electronics (Silvia G Motti, Francisco C B Maia and Paulo B Miranda)Photoinduced Charge Transfer Dynamics at HybridGaAs/P3HT Interfaces (Jun Yin, Manoj Kumar, Majid Panahandeh-Fard, Zilong Wang, Francesco Scotognella and Cesare Soci)The First Step in Vision: Visualizing Wavepacket Motion through a Conical Intersection (Dario Polli, Daniele Brida, Cristian Manzoni, Giulio Cerullo, Piero Altoe', Marco Garavelli, Oliver Weingart, Katelyn Spillane, Philipp Kukura and Richard A Mathies)Ultrafast Investigation of Energy and Charge Transfer in a Prototypical Photovoltaic Blend (Guglielmo Lanzani, Ajay Ram Srimath Kandada and Daniele Fazzi)Vacancy-Doped Plasmonic Copper Chalcogenide Nanocrystals with Tunable Optical Properties (Ilka Kriegel, Jessica Rodríguez-Fernández, Chengyang Jiang, Richard Schaller, Enrico Da Como, Dmitri V Talapin, Jochen Feldmann) Readership: Academics and professionals in the fields of physics, chemistry and material science. Keywords:Nanostructure;Interface;Semiconductor;Nanoelectronics;Optics;SurfaceReviews: “This book provides an excellent introduction to the basics of ultrafast dynamics, describes advanced experimental methods and important applications to biological, charge transfer, low-dimensional systems and others. It is highly recommended to researchers and graduate students in the field of ultrafast laser spectroscopy.” Prof. Alan Heeger Nobel Laureate in Chemistry, 2000
Book Synopsis Polariton Chemistry by : Joel Yuen-Zhou
Download or read book Polariton Chemistry written by Joel Yuen-Zhou and published by . This book was released on 2023-05-09 with total page 452 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a pedagogical introduction to the emerging field of Polariton Chemistry, where optical cavities are utilized to control the physicochemical properties and dynamics of molecular systems. Given the early stages of this interdisciplinary research area, it is important to provide a common language and starting point for interested researchers across Chemistry, Physics, and Engineering This edited compendium fills a void given that there is currently no analogue in the current literature. Topics covered include Single-Molecule Strong Light-Matter Coupling; Collective Strong Light-Matter Coupling; and Ultrastrong Light-Matter Coupling
