Chemical Dynamics in Condensed Phases Relaxation Transfer and Reactions in Condensed Molecular Systems

Author: Abraham Nitzan
Publisher: OUP Oxford
ISBN: 9780198529798
Format: PDF, ePub, Docs
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This text provides a uniform and consistent approach to diversified problems encountered in the study of dynamical processes in condensed phase molecular systems. Given the broad interdisciplinary aspect of this subject, the book focuses on three themes: coverage of needed background material, in-depth introduction of methodologies, and analysis of several key applications. The uniform approach and common language used in all discussions help to develop general understanding and insight on condensed phases chemical dynamics. The applications discussed are among the most fundamental processes that underlie physical, chemical and biological phenomena in complex systems. The first part of the book starts with a general review of basic mathematical and physical methods (Chapter 1) and a few introductory chapters on quantum dynamics (Chapter 2), interaction of radiation and matter (Chapter 3) and basic properties of solids (chapter 4) and liquids (Chapter 5). In the second part the text embarks on a broad coverage of the main methodological approaches. The central role of classical and quantum time correlation functions is emphasized in Chapter 6. The presentation of dynamical phenomena in complex systems as stochastic processes is discussed in Chapters 7 and 8. The basic theory of quantum relaxation phenomena is developed in Chapter 9, and carried on in Chapter 10 which introduces the density operator, its quantum evolution in Liouville space, and the concept of reduced equation of motions. The methodological part concludes with a discussion of linear response theory in Chapter 11, and of the spin-boson model in chapter 12. The third part of the book applies the methodologies introduced earlier to several fundamental processes that underlie much of the dynamical behaviour of condensed phase molecular systems. Vibrational relaxation and vibrational energy transfer (Chapter 13), Barrier crossing and diffusion controlled reactions (Chapter 14), solvation dynamics (Chapter 15), electron transfer in bulk solvents (Chapter 16) and at electrodes/electrolyte and metal/molecule/metal junctions (Chapter 17), and several processes pertaining to molecular spectroscopy in condensed phases (Chapter 18) are the main subjects discussed in this part.

Chemical Dynamics in Condensed Phases

Author: Abraham Nitzan
Publisher: Oxford University Press
ISBN: 0198529791
Format: PDF, Mobi
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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.

Chemical Dynamics in Condensed Phases

Author: Abraham Nitzan
Publisher: OUP Oxford
ISBN: 9780199686681
Format: PDF, ePub
Download Now
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.

Principles of Nonlinear Optical Spectroscopy

Author: Shaul Mukamel
Publisher: Oxford University Press on Demand
ISBN: 9780195132915
Format: PDF
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One of the obstacles facing researchers in nonlinear optical spectroscopy is the flood of experiemtnal techniques and terminologies, which create a serious language barrier. This book presents a systematic and uifying viewpoint for a wide class of techniques.

Molecular Modeling of Geochemical Reactions

Author: James D. Kubicki
Publisher: John Wiley & Sons
ISBN: 111884520X
Format: PDF
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Molecular processes in nature affect human health, the availability of resources and the Earth’s climate. Molecular modelling is a powerful and versatile toolbox that complements experimental data and provides insights where direct observation is not currently possible. Molecular Modeling of Geochemical Reactions: An Introduction applies computational chemistry to geochemical problems. Chapters focus on geochemical applications in aqueous, petroleum, organic, environmental, bio- and isotope geochemistry, covering the fundamental theory, practical guidance on applying techniques, and extensive literature reviews in numerous geochemical sub-disciplines. Topics covered include: • Theory and Methods of Computational Chemistry • Force Field Application and Development • Computational Spectroscopy • Thermodynamics • Structure Determination • Geochemical Kinetics This book will be of interest to graduate students and researchers looking to understand geochemical processes on a molecular level. Novice practitioners of molecular modelling, experienced computational chemists, and experimentalists seeking to understand this field will all find information and knowledge of use in their research.

Quantum Dynamics

Author: Eric R. Bittner
Publisher: CRC Press
ISBN: 1439882142
Format: PDF, Mobi
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Even though time-dependent spectroscopic techniques continue to push the frontier of chemical physics, they receive scant mention in introductory courses and are poorly covered in standard texts. Quantum Dynamics: Applications in Biological and Materials Systems bridges the gap between what is traditionally taught in a one-semester quantum chemistry course and the modern field of chemical dynamics, presenting the quantum theory of charge and energy transport in biological systems and optical-electronic materials from a dynamic perspective. Reviews the basics Taking a pedagogical approach, the book begins by reviewing the concepts of classical mechanics that are necessary for studying quantum mechanics. It discusses waves and wave functions and then moves on to an exploration of semiclassical quantum mechanics methods, an important part of the development and utilization of quantum theory. Time-independent and time-dependent perspectives The main focus of the book is the chapter on quantum dynamics, which begins with a brief review of the bound states of a coupled two-level system. This is discussed with a time-independent as well as a time-dependent perspective. The book also explores what happens when the two-level system has an additional harmonic degree of freedom that couples the transitions between the two states. The book reviews different ways in which one can represent the evolution of a quantum state, explores the quantum density matrix, and examines the basis for excitation energy transfer between molecules. Later chapters describe the pi electronic structure of conjugated organic systems and discuss electron-phonon coupling in conjugated systems and transport and dynamics in extended systems. Includes Mathematica® downloads On an accompanying website, Mathematica® applications and codes can be downloaded to illustrate the theoretical methods presented, and the book offers ample references for further study. The book and website combine to provide students with a clear understanding of the theory and its applications.

Density Functional Theory of Atoms and Molecules

Author: Robert G. Parr
Publisher: OUP USA
ISBN: 0195092767
Format: PDF, ePub
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Provides an account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. This book contains a discussion of the chemical potential and its derivatives. It is intended for physicists, chemists, and advanced students in chemistry.

Energy Transfer Dynamics in Biomaterial Systems

Author: Irene Burghardt
Publisher: Springer Science & Business Media
ISBN: 3642023061
Format: PDF, ePub, Mobi
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The role of quantum coherence in promoting the e ciency of the initial stages of photosynthesis is an open and intriguing question. Lee, Cheng, and Fleming, Science 316, 1462 (2007) The understanding and design of functional biomaterials is one of today’s grand challenge areas that has sparked an intense exchange between biology, materials sciences, electronics, and various other disciplines. Many new - velopments are underway in organic photovoltaics, molecular electronics, and biomimetic research involving, e. g. , arti cal light-harvesting systems inspired by photosynthesis, along with a host of other concepts and device applications. In fact, materials scientists may well be advised to take advantage of Nature’s 3. 8 billion year head-start in designing new materials for light-harvesting and electro-optical applications. Since many of these developments reach into the molecular domain, the - derstanding of nano-structured functional materials equally necessitates f- damental aspects of molecular physics, chemistry, and biology. The elementary energy and charge transfer processes bear much similarity to the molecular phenomena that have been revealed in unprecedented detail by ultrafast op- cal spectroscopies. Indeed, these spectroscopies, which were initially developed and applied for the study of small molecular species, have already evolved into an invaluable tool to monitor ultrafast dynamics in complex biological and materials systems. The molecular-level phenomena in question are often of intrinsically quantum mechanical character, and involve tunneling, non-Born- Oppenheimer e ects, and quantum-mechanical phase coherence.

Introduction to Nanoscience

Author: Stuart Lindsay
Publisher: Oxford University Press
ISBN: 0199544212
Format: PDF, Mobi
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Accompanying disc contains Powerpoint slides, animations and texts in various formats.

Chemical Analysis

Author: Francis Rouessac
Publisher: John Wiley & Sons
ISBN: 1118681878
Format: PDF, Docs
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Completely revised and updated, Chemical Analysis: Second Edition is an essential introduction to a wide range of analytical techniques and instruments. Assuming little in the way of prior knowledge, this text carefully guides the reader through the more widely used and important techniques, whilst avoiding excessive technical detail. Provides a thorough introduction to a wide range of the most important and widely used instrumental techniques Maintains a careful balance between depth and breadth of coverage Includes examples, problems and their solutions Includes coverage of latest developments including supercritical fluid chromatography and capillary electrophoresis