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Applied Chemistry
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Modern Computational Quantum Chemistry is indispensable for research in the chemical sciences. Computational Quantum Chemistry II - The Group Theory Calculator describes the group theory that the authors have developed in the past twenty-five years and illustrates how this approach, known as the 'Spherical Shell' method, can be applied to solve a variety of problems that benefit from a group theory analysis.
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The gap between experimental objects and models for calculations in chemistry is being bridged. The size of experimental nano-objects is decreasing, while reliable calculations are feasible for larger and larger molecular systems. The results of these calculations for isolated molecules are becoming more relevant for experiments. However, there are still significant challenges for computational methods. This series of books presents reviews of current advances in computational methodologies and applications.
Chapter 1 of this volume provides an overview of the theoretical and numerical aspects in the development of the polarizable continuum model (PCM). Chapter 2 demonstrates a multiplicative scheme used to estimate the properties of two- and three-dimensional clusters from the properties of their one-dimensional components. Chapter 3 discusses the application of ab initio methods for a reliable evaluation of the characteristics of hydrogen-bonded and van der Waals complexes.
Ab initio quantum-chemical methods are popular among researchers investigating various aspects of DNA. The properties of DNA base polyads linked by base�base hydrogen bonds are reviewed in Chapter 4, while Chapter 5 reviews the primary radiation-induced defects in nucleic acid building blocks, and how DNA can be influenced by chemical and environmental effects. Finally, Chapter 6 discusses available experimental data of DNA bases, base pairs, and their complexes with water.
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At the bottom links you can free Studies in Natural Products Chemistry Volume 29 - Bioactive Natural Products ebook downloads
Advances Organobromine Chemistry 2
The organic molecules that are used, particularly in the areas of pharmacy and agrochemicals, are becoming more and more complex both in their chemical nature and spacial configuration. A complex molecular structure is inevitably fragile; it cannot be produced under severe conditions (in particular high pressure and temperature). In addition there is a problem of the scale-up of a product from the laboratory to the industrial scale. The control of the reactivity, selectivity, and yield and the use of sufficiently mild industrial conditions are all factors that must be taken into account by industrial chemists. Amongst the "tools" giving controllable reactivity, selectivity, and relatively mild reaction conditions is bromine. The organic chemistry of bromine sometimes gives surprising selectivities compared to those of chlorine. This volume which is based on "Orgabrom '93", brings together the main contributions presented at this event.
Keynotes in Organic Chemistry
The development of university organic chemistry curricula and the trend towards modularisation of chemistry courses has driven the need for smaller, highly focussed and accessible organic chemistry textbooks, which complement the very detailed �standard texts�, to guide students through the key principles of the subject.
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Introduction to Quantum Mechanics: in Chemistry, Materials Science, and Biology
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Basic Training in Chemistry is unique in that it gathers into one source the essential information that is usually widely dispersed. This book can be used as a quick reference guide to the different disciplines of Chemistry: the areas covered are General, Inorganic, Organic, and Instrumental Analysis. Although comprehensive in nature, Basic Training in Chemistry is not meant to replace any standard textbook but rather to be a supplement or additional source of information, or even a comprehensive review guide. Basic Training in Chemistry is a useful addition to any academic or commercial laboratory setting where access to a wide variety of information is needed. The book can be an exceptional source of information for the undergraduate or graduate student as well as for the experienced chemist. Anyone needing a single source of information covering several different disciplines will find this book to be an excellent addition to their usual references.
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