Electron Dynamics In Molecular Interactions: Principles And Applications PDF Download
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Author: Frank Hagelberg
Publisher: World Scientific
ISBN: 1783264535
Category : Science
Languages : en
Pages : 968
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Book Description
This volume provides a comprehensive introduction to the theory of electronic motion in molecular processes — an increasingly relevant and rapidly expanding segment of molecular quantum dynamics. Emphasis is placed on describing and interpreting transitions between electronic states in molecules as they occur typically in cases of reactive scattering between molecules, photoexcitation or nonadiabatic coupling between electronic and nuclear degrees of freedom.Electron Dynamics in Molecular Interactions aims at a synoptic presentation of some very recent theoretical efforts to solve the electronic problem in quantum molecular dynamics, contrasting them with more traditional schemes. The presented models are derived from their roots in basic quantum theory, their interrelations are discussed, and their characteristic applications to concrete chemical systems are outlined. This volume also includes an assessment of the present status of electron dynamics and a report on novel developments to meet the current challenges in the field.Further, this monograph responds to a need for a systematic comparative treatise on nonadiabatic theories of quantum molecular dynamics, which are of considerably higher complexity than the more traditional adiabatic approaches and are steadily gaining in importance. This volume addresses a broad readership ranging from physics or chemistry graduate students to specialists in the field of theoretical quantum dynamics.
Author: Frank Hagelberg
Publisher: World Scientific
ISBN: 1783264535
Category : Science
Languages : en
Pages : 968
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Book Description
This volume provides a comprehensive introduction to the theory of electronic motion in molecular processes — an increasingly relevant and rapidly expanding segment of molecular quantum dynamics. Emphasis is placed on describing and interpreting transitions between electronic states in molecules as they occur typically in cases of reactive scattering between molecules, photoexcitation or nonadiabatic coupling between electronic and nuclear degrees of freedom.Electron Dynamics in Molecular Interactions aims at a synoptic presentation of some very recent theoretical efforts to solve the electronic problem in quantum molecular dynamics, contrasting them with more traditional schemes. The presented models are derived from their roots in basic quantum theory, their interrelations are discussed, and their characteristic applications to concrete chemical systems are outlined. This volume also includes an assessment of the present status of electron dynamics and a report on novel developments to meet the current challenges in the field.Further, this monograph responds to a need for a systematic comparative treatise on nonadiabatic theories of quantum molecular dynamics, which are of considerably higher complexity than the more traditional adiabatic approaches and are steadily gaining in importance. This volume addresses a broad readership ranging from physics or chemistry graduate students to specialists in the field of theoretical quantum dynamics.
Author: Fabien Gatti
Publisher: Springer Science & Business Media
ISBN: 3642452906
Category : Science
Languages : en
Pages : 281
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Book Description
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.
Author: B. Viswanathan
Publisher: CRC Press
ISBN: 9780849324246
Category : Science
Languages : en
Pages : 428
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Book Description
Students contemplating careers in chemistry, whether in research, practice, or academia, obviously need a solid grounding in proper research methodology, reasoning, and analysis. However, there are few resources available that efficiently and effectively introduce these concepts and techniques and inspire students to undertake advanced research, particularly in the area of catalysis. Catalysis: Principles and Applications evolved out of a special, resoundingly successful short course for graduate students interested in catalysis. It covers nearly the entire gamut of the subject, from its fundamentals to its modern, applied aspects. The chapters were contributed by catalysis specialists from leading academic institutions, national laboratories and industrial R&D labs. Because they are based on the authors' lecture notes, each chapter is highly accessible and for the most part self-contained. Topics include various spectroscopic methods, biocatalysis, x-ray and thermal analysis, photocatalysis, and recent developments, such as solid acid catalysts, fine chemical synthesis, and computer-aided catalyst design. The book also contains discussions on a variety of modern applications, including environmental pollution control, petroleum refining, fuel cells, and monomolecular films. Logically presented, well-illustrated, and thoroughly referenced, Catalysis: Principles and Applications offers an outstanding basis for courses in catalysis. It not only imparts the fundamentals, synthesis, characterization, and applications of catalysis, but does so in a way that will motivate students to pursue more advanced studies and ultimately careers in the field.
Author: Ian P Grant
Publisher: Springer Science & Business Media
ISBN: 0387350691
Category : Science
Languages : en
Pages : 813
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Book Description
This book is intended for physicists and chemists who need to understand the theory of atomic and molecular structure and processes, and who wish to apply the theory to practical problems. As far as practicable, the book provides a self-contained account of the theory of relativistic atomic and molecular structure, based on the accepted formalism of bound-state Quantum Electrodynamics. The author was elected a Fellow of the Royal Society of London in 1992.
Author: Prof. Dr. Bilal Semih Bozdemir
Publisher: Prof. Dr. Bilal Semih Bozdemir
ISBN:
Category : Science
Languages : en
Pages : 531
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Book Description
Medical and Biological Physics Introduction to Medical and Biological Physics Fundamentals of Biological Systems Biomechanics and Biophysics Bioelectromagnetism and Bioelectricity Radiation Physics in Medicine Imaging Techniques in Biology and Medicine Spectroscopic Methods in Biological and Medical Research Molecular and Cellular Biophysics Bioinformatics and Computational Biology Tissue Engineering and Regenerative Medicine Nanotechnology in Biology and Medicine Ultrasound and its Applications in Medicine Magnetic Resonance Imaging (MRI) Principles and Techniques Emerging Trends and Future Directions in Medical and Biological Physics
Author: Hiroki Nakamura
Publisher: World Scientific
ISBN: 9814329789
Category : Science
Languages : en
Pages : 515
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Book Description
Nonadiabatic transition is a highly multidisciplinary concept and phenomenon, constituting a fundamental mechanism of state and phase changes in various dynamical processes of physics, chemistry and biology, such as molecular dynamics, energy relaxation, chemical reaction, and electron and proton transfer. Control of molecular processes by laser fields is also an example of time-dependent nonadiabatic transition. In this new edition, the original chapters are updated to facilitate enhanced understanding of the concept and applications. Three new chapters OCo comprehension of nonadiabatic chemical dynamics, control of chemical dynamics, and manifestation of molecular functions OCo are also added.
Author:
Publisher: Elsevier
ISBN: 0323958192
Category : Technology & Engineering
Languages : en
Pages : 2153
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Book Description
Semiconductors are at the heart of modern living. Almost everything we do, be it work, travel, communication, or entertainment, all depend on some feature of semiconductor technology. Comprehensive Semiconductor Science and Technology, Second Edition, Three Volume Set captures the breadth of this important field and presents it in a single source to the large audience who study, make, and use semiconductor devices. Written and edited by a truly international team of experts and newly updated to capture key advancements in the field, this work delivers an objective yet cohesive review of the semiconductor world.The work is divided into three sections, fully updated and expanded from the first edition. The first section is concerned with the fundamental physics of semiconductors, showing how the electronic features and the lattice dynamics change drastically when systems vary from bulk to a low-dimensional structure and further to a nanometer size. Throughout this section there is an emphasis on the full understanding of the underlying physics, especially quantum phenomena. The second section deals largely with the transformation of the conceptual framework of solid-state physics into devices and systems, which require the growth of high-purity or doped, bulk and epitaxial materials with low defect density and well-controlled electrical and optical properties. The third section is devoted to design, fabrication and assessment of discrete and integrated semiconductor devices. It will cover the entire spectrum of devices we see all around us, for telecommunications, computing, automation, displays, illumination and consumer electronics. - Provides a comprehensive global picture of the semiconductor world - Written and Edited by an international team of experts - Compiles the most important semiconductor knowledge into one comprehensive resource - Moves from fundamentals and theory to more advanced knowledge, such as applications, allowing readers to gain a deeper understanding of the field
Author: K. I. Ramachandran
Publisher: Springer Science & Business Media
ISBN: 3540773045
Category : Science
Languages : en
Pages : 405
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Book Description
The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http://www.amrita.edu/cen/ccmm) support the students and lecturers.
Author:
Publisher:
ISBN:
Category : Medicine
Languages : en
Pages : 1512
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Book Description
Author:
Publisher:
ISBN:
Category : Aeronautics
Languages : en
Pages : 692
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Book Description
