Molecular modeling encompasses applied theoretical approaches and computational techniques to model structures and properties of molecular compounds and materials in order to predict and / or interpret their properties. The modeling covered in this book ranges from methods for small chemical to large biological molecules and materials. With its comprehensive coverage of important research fields in molecular and materials science, this is a must-have for all organic, inorganic and biochemi...

The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures...

The art of chemistry is to thoroughly understand the properties of molecular compounds and materials and to be able to prepare novel compounds with p- dicted and desirable properties. The basis for progress is to fully appreciate and fundamentally understand the intimate relation between structure and function. The thermodynamic properties (stability, selectivity, redox potential), reactivities (bond breaking and formation, catalysis, electron transfer) and electronic properties (spectrosc...

Chemists are used to the operational definition of symmetry, which crystallographers introduced long before the advent of quantum mechanics. The ball-and-stick models of molecules naturally exhibit the symmetrical properties of macroscopic objects. However, the practitioner of quantum chemistry and molecular modeling is not concerned with balls and sticks, but with subatomic particles: nuclei and electrons.This textbook introduces the subtle metaphors which relate our macroscopic u...

Urea-SCR Technology for deNOx After Treatment of Diesel Exhausts presents a complete overview of theselective catalytic reduction of NOx by ammonia/urea. The book starts withan illustration of the technology in the framework of the current context (legislation,market, system configurations), covers the fundamental aspects of the SCR process(catalysts, chemistry, mechanism, kinetics) and analyzes its application to useful topicssuch a...

Acids and bases are ubiquitous in chemistry. Our understanding of them, however, is dominated by their behaviour in water. Transfer to non-aqueous solvents leads to profound changes in acid-base strengths and to the rates and equilibria of many processes: for example, synthetic reactions involving acids, bases and nucleophiles; isolation of pharmaceutical actives through salt formation; formation of zwitter- ions in amino acids; and chromatographic separation of substrates. This book seeks...

In crystal chemistry and crystal physics, the relations between the symmetry groups (space groups) of crystalline solids are of special importance. Part 1 of this book presents the necessary mathematical foundations and tools: the fundamentals of crystallography with special emphasis on symmetry, the theory of the crystallographic groups, and the formalisms of the needed crystallographic computations. Part 2 gives an insight into applications to problems in crystal chemistry. With the aid ...

When was radium discovered? Who are Dmitri Mendeleev and Glenn T. Seaborg? Who discovered uranium's radioactivity? Which element is useful for dating the age of Earth? And why doesn't gold have a scientific name?30-Second Elements presents you with the very foundations of chemical knowledge, explaining concisely the 50 most significant chemical elements.This book uses helpful glossaries and tables to fast track your knowledge of the other 68 elements and the relationships bet...

This book of general analytical chemistry – as opposed to instrumental analysis or separation methods – in aqueous solutions is focuses on fundamentals, which is an area too often overlooked in the literature. Explanations abound of the chemical and physical principles of different operations of chemical analysis in aqueous solutions. Once these principle are firmly established, numerous examples of applications are also given.

Chemistry can get very confusing if the approach to learning the subject is ineffective. That is why picture books on chemistry exist. Picture books break down learning as it uses only a few rich sentences then paired off with carefully selected pictures to bring the message across. This appeals to a child's word and picture memories. Buy a copy now!

This book presents the third volume of a complete development of the new structural classification of minerals, which is based on the internal crystal structure, and is therefore its natural classification. Because of the large domain of the mineral kingdom, this work is divided in three volumes, in which the minerals are ordered from the structurally simple to the more complex.Audience: This work will be of particular interest to teachers and research workers of in mineralogy, and...

This multi-author contributed volume gives a comprehensive overview of recent progress in various vibrational spectroscopic techniques and chemometric methods and their applications in chemistry, biology and medicine. In order to meet the needs of readers, the book focuses on recent advances in technical development and potential exploitations of the theory, as well as the new applications of vibrational methods to problems of recent general interest that were difficult or even impossible ...