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Chemical Modelling
Chemical modelling covers a wide range of disciplines and this book is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling. Containing both comprehensive and critical reviews, it is a convenient reference to the current literature. Coverage includes, but is not limited to, boron clusters, molecular modeling of inclusion complexes, modelling of circular dichroism for DNA and proteins, and the interface effect of nanocomposites as electrode materials for Li/Na ion batteries.
Molecular Technology, Volume 3
Edited by foremost leaders in chemical research together with a number of distinguished international authors, this third volume summarizes the most important and promising recent developments in material science in one book. Interdisciplinary and application-oriented, this ready reference focuses on innovative methods, covering new developments in photofunctional materials, polymer chemistry, surface science and more. Of great interest to chemists as well as material scientists alike.
Exploration on Quantum Chemical Potential Energy Surfaces
Written chemical formulas, such as C2H6O, can tell us the constituent atoms a molecule contains but they cannot differentiate between the possible geometrical arrangements (isomers) of these models. Yet the chemical properties of different isomers can vary hugely. Therefore, to understand the world of chemistry we need to ask what kind of isomers can be produced from a given atomic composition, how are isomers converted into each other, how do they decompose into smaller pieces, and how can they be made from smaller pieces? The answers to these questions will help us to discover new chemistry and new molecules. A potential energy surface (PES) describes a system, such as a molecule, based on...
Photochemistry
As a scientific discipline, photochemistry generates more than 1200 articles and reviews a year across a range of fields. Keeping up with the literature can be difficult, but Specialist Periodical Reports present an informed view of the latest thinking and research in the field. The latest and 42nd volume in the series has a special emphasis on organic and computational aspects of photochemistry, drawn from the literature published in 2012 and 2013. Several chapters are devoted to comprehensive and critical reviews of various organic compounds and functional groups. One chapter is devoted to photoclick chemistry, another on continuous flow photochemical reactions. New methods for excited state energies and properties are also examined, as are new approaches to singlet oxygen photosensitisation in biological media and functions containing a heteroatom different from oxygen. Photochemistry provides essential reading for anyone wishing to keep up to date with the literature or gain a broad appreciation of the field.
Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map
This thesis proposes useful tools, on-the-fly trajectory mapping method and Reaction Space Projector (ReSPer), to analyze chemical reaction mechanisms by combining the reaction route map and the ab initio molecular dynamics. The key concept for the proposed tools is the Cartesian distance between pairwise molecular structures, and a practical procedure to get the optimal distance is introduced. The on-the-fly trajectory mapping method tracks the distance function between reference structures and molecular structures along the trajectory. Although this method provides fruitful insight into dynamic reaction behaviors, the visualization of reaction routes into a low-dimensional space is still c...
Cochlear Implants - an Update
Introduction On behalf of the Organizing Committee of the Third Congress of Asia Pacific Symposium on Cochlear Implant and Related Sciences (3rd APSCI), I would like to extend my heartfelt thanks to all the attendants at the meeting, as well as to the contributors to these Proceedings. As most of you will have realized, the meeting was a great success both from a scientific as well as a social point of view. Almost four hundred attendants from 25 countries gathered in the Osaka Convention Hall. The program consisted of three parallel workshops spanning one and a half days, and three full days of scientific sessions. The weather was ideal, and our guests were able to see the cherry trees in f...
Heterogeneous Gold Catalysts and Catalysis
Once considered an inert element, gold has recently gained attention as a catalyst. With hundreds of papers being published each year, this book presents a comprehensive review of this rapidly-evolving field, with contributions by leading experts across the globe. Going through the chapters citing the primary literature, the reader will gain a thorough background to the use of gold in catalysis, as well as the latest methods for the preparation of gold catalysts. Other chapters demonstrate the characterisation and modelling of gold-catalysed reactions, with consideration given to both the fundamentals and commercial applications of this emerging group of catalysts.Written to be accessible by postgraduates and newcomers to the field, this book will also benefit experienced researchers and therefore be an essential reference in the laboratory.
Progress in Ultrafast Intense Laser Science XVII
This book covers a broad range of interdisciplinary topics, focusing on atoms and molecules in intense laser fields, excitation processes in intense laser fields, photonics and materials, high-order harmonics generation, XFEL, high-power lasers and their applications, and quantum computing. This seventeenth volume features contributions from world-renowned researchers on topics such as applications of attosecond and femtosecond laser pulses, coherence and dynamics in quantum systems, and applications of super-intense laser fields. The PUILS series delivers up-to-date reviews of progress in this emerging interdisciplinary research field, spanning atomic and molecular physics, molecular scienc...
