Electron Dynamics In Molecular Interactions Principles And Applications

Download or read book Electron Dynamics In Molecular Interactions: Principles And Applications written by Frank Hagelberg and published by World Scientific. This book was released on 2013-12-23 with total page 968 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Nonadiabatic Transition written by Hiroki Nakamura and published by World Scientific. This book was released on 2012 with total page 515 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Advances in Atomic, Molecular, and Optical Physics written by and published by Elsevier. This book was released on 2000-10-11 with total page 329 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Catalysis written by B. Viswanathan and published by Alpha Science Int'l Ltd.. This book was released on 2002 with total page 434 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fundamentals along with modern aspects of catalysis including spectroscopic methods are covered in this valuable text.

Download or read book Design, Principle and Application of Self-Assembled Nanobiomaterials in Biology and Medicine written by Alok Pandya and published by Academic Press. This book was released on 2022-08-04 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Download or read book Solvation Dynamics written by Chang Q Sun and published by Springer. This book was released on 2019-07-03 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book The Application of Quantum Mechanics in Reactivity of Molecules written by Sérgio F. Sousa and published by MDPI. This book was released on 2021-03-19 with total page 182 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.