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Author: Frank Hagelberg Publisher: World Scientific ISBN: 1783264535 Category : Science Languages : en Pages : 968
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
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: Publisher: Elsevier ISBN: 0080526055 Category : Science Languages : en Pages : 329
Book Description
This series, established in 1965, is concerned with recent developments in the general area of atomic, molecular, and optical physics. The field is in a state of rapid growth, as new experimental and theoretical techniques are used on many old and new problems. Topics covered also include related applied areas, such asatmospheric science, astrophysics, surface physics, and laser physics. Articles are written by distinguished experts who are active in their research fields. The articles contain both relevant review material as well as detailed descriptions of important recent developments.
Author: Hiroki Nakamura Publisher: World Scientific ISBN: 9814329789 Category : Science Languages : en Pages : 515
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: Prof. Dr. Bilal Semih Bozdemir Publisher: Prof. Dr. Bilal Semih Bozdemir ISBN: Category : Science Languages : en Pages : 531
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: Alok Pandya Publisher: Academic Press ISBN: 032390985X Category : Medical Languages : en Pages : 316
Book Description
Design, Principle and Application of Self-Assembled Nanobiomaterials in Biology and Medicine discusses recent advances in science and technology using nanoscale units that show the novel concept of combining nanotechnology with various research disciplines within both the biomedical and medicine fields. Self-assembly of molecules, macromolecules, and polymers is a fascinating strategy for the construction of various desired nanofabrication in chemistry, biology, and medicine for advanced applications. It has a number of advantages: (1) It is involving atomic-level modification of molecular structure using bond formation advanced techniques of synthetic chemistry. (2) It draws from the enormous wealth of examples in biology for the development of complex, functional structures. (3) It can incorporate biological structures directly as components in the final systems. (4) It requires that the target self-assembled structures be thermodynamically most stable with relatively defect-free and self-healing. In this book, we cover the various emerging self-assembled nanostructured objects including molecular machines, nano-cars molecular rotors, nanoparticles, nanosheets, nanotubes, nanowires, nano-flakes, nano-cubes, nano-disks, nanorings, DNA origami, transmembrane channels, and vesicles. These self-assembled materials are used for sensing, drug delivery, molecular recognition, tissue engineering energy generation, and molecular tuning. - Provides a basic understanding of how to design, and implement various self-assembled nanobiomaterials - Covers principles implemented in the constructions of novel nanostructured materials - Offers many applications of self-assemblies in fluorescent biological labels, drug and gene delivery, bio-detection of pathogens, detection of proteins, probing of DNA structure, tissue engineering, and many more
Author: Chang Q Sun Publisher: Springer ISBN: 981138441X Category : Science Languages : en Pages : 316
Book Description
This book highlights the latest advances and outlines future trends in aqueous solvation studies from the perspective of hydrogen bond transition by charge injection, which reconciles the solvation dynamics, molecular nonbond interactions, and the extraordinary functionalities of various solutes on the solution bond network and properties. Focus is given on ionic and dipolar electrostatic polarization, O:H nonbond interaction, anti-HB and super-HB repulsion, and solute-solute interactions. Its target audience includes researchers, scientists, and engineers in chemistry, physics, surface and interface science, materials science and engineering.
Author: Sérgio F. Sousa Publisher: MDPI ISBN: 3036506586 Category : Science Languages : en Pages : 182
Book Description
Over recent decades, the increase in computational resources, coupled with the popularity of competitive quantum mechanics alternatives (particularly DFT), has promoted the widespread penetration of quantum mechanics calculations into a variety of fields targeting the reactivity of molecules. This book presents a selection of original research papers and review articles illustrating diverse applications of quantum mechanics in the study of problems involving molecules and their reactivity.
Author: Fabien Gatti Publisher: Springer Science & Business Media ISBN: 3642452906 Category : Science Languages : en Pages : 281
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: Frank Hagelberg
Author: Frank Hagelberg
Author: 
Author: Hiroki Nakamura
Author: Prof. Dr. Bilal Semih Bozdemir
Author: B. Viswanathan
Author: Alok Pandya
Author: Chang Q Sun
Author: Sérgio F. Sousa
Author: Fabien Gatti
Author: