Books in Atomic and molecular structure

31-40 of 51 results in All results

Atomic and Molecular Photoabsorption

• 1st Edition
• November 26, 2001
• Joseph Berkowitz
• English
• eBook 978-0-08-052769-7

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Atomic and Molecular Photoabsorption, Volume 1 describes and catalogs available spectral information relevant to how common gases interact with sunlight and other sources of electromagnetic radiation such as x-rays, flames, and plasmas. Photoabsorption is light's reduction in intensity and force when it passes through a column of gas or liquid. This book also includes a large number of data tables and figures that are invaluable to researchers because they help them select exactly which wavelengths to use in their experiments. The further distinguishing aspect of this book is its synthesis across a broad spectrum of wavelengths and compilation of data for a large number of atoms and molecules.

Theoretical Foundations of Molecular Magnetism

• 1st Edition
• Volume 1
• September 29, 1999
• Roman Boča
• English
• Hardback 978-0-444-50229-2

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• eBook 978-0-08-054271-3

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Magnetochemistry is a highly interdisciplinary field that attracts the interest of chemists, physicists and material scientists. Although the general strategy of theoretical molecular magnetism has been in place for decades, its performance for extended systems of interacting magnetic units can be very complicated. Professor Boca's book treats the "mosaic" of the theoretical approaches currently used in the field. This book presents a review of the theoretical concepts of molecular magnetism. The first chapter of the book recapitulates the necessary mathematical background. An overview of macroscopic magnetic properties is then presented. Formulation of magnetic parameters and methods of their calculation are given, followed by a brief summary of magnetic behaviour. The core of the book deals with the temperature dependence of magnetic susceptibility for mononuclear complexes, dimers, and exchange-coupled clusters.This book will be particularly useful for those scientists and students working in the field of molecular magnetism who need to refer to a complete and systematic treatment of the mathematics of magneto-chemical theory.

Pauling's Legacy

• 1st Edition
• Volume 6
• March 31, 1999
• Z.B. Maksic + 1 more
• English
• eBook 978-0-08-053852-5

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Theory and experiment in chemistry today provide a wealth of data, but such data have no meaning unless they are correctly interpreted by sound and transparent physical models. Linus Pauling was a grandmaster in the modelling of molecular properties. Indeed, many of his models have served chemistry for decades and that has been his lasting legacy for chemists all over the world.The aim of this book is to put such simple models into the language of modern quantum chemistry, thus providing a deeper justification for many of Pauling's ideas and concepts. However, it should be stressed that many contributions to this work, written by some of the world's most prominent theoretical chemists, do not merely follow Pauling's footprints. By taking his example, they made bold leaps forward to overcome the limitations of the old models, thereby opening new scientific vistas.This book is an important contribution to the chemical literature. It is an almost obligatory textbook for postgraduate students and postdoctoral researchers in physical chemistry, chemical physics and advanced physical organic chemistry.

Molecular Dynamics

• 1st Edition
• Volume 7
• March 1, 1999
• Perla Balbuena + 1 more
• English
• Hardback 978-0-444-82910-8

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• eBook 978-0-08-053684-2

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The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD).Features of this book:• Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD• Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers• Provides chemical reactions, interfaces, catalysis, surface phenomena and solidsAlthough the book is not formally divided into methods and applications, the chapters are arranged starting with those that discuss new algorithms, methods and techniques, followed by several important applications.

Advances in Molecular Structure Research

• 1st Edition
• Volume 4
• August 2, 1998
• M. Hargittai + 1 more
• English
• eBook 978-0-08-054641-4

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This volume is the fourth in the series and offers both quality and breadth. As a whole it reflects two increasingly discernible trends in modern structural chemistry. One trend is that parallel to the ever increasing specialization of techniques, there is a strong interaction between the techniques. This interaction crosses the boundaries between various experiments, between the experiments and computations, experiments and theory, and organic and inorganic chemistry. The other trend is the ever increasing penetration of the most modern aspects of structural chemistry the rest of chemistry, making the demarkation of structural chemistry increasingly fuzzy which is the most welcome development from a structural chemist's point of view.

Molecular Approach to Solids

• 1st Edition
• Volume 23
• July 9, 1998
• A.N. Lazarev
• J.R. Durig
• English
• eBook 978-0-08-053681-1

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The current volume in the series Vibrational Spectra and Structure is a single topic volume on the vibrational spectra of molecules containing silicon in the solid state. Molecular Approaches to Solids has been treated by the workers in the Institute for Silicate Chemistry of the Russian Academy of Science in St. Petersburg for the past two decades. In the last 15 years, a number of publications have originated from the laboratory where quantum mechanical computations for suitably selected molecules have been utilized to explain the origins of some structure bonding interrelationships and silicates and to evaluate their force constants.Since most of the developments in this area have been published in the Russian literature they remain relatively inaccessible to the Western scientists. This volume is a compilation of many of these publications and summarizes the essential conclusions of these studies.Unfortunately, Professor Lazarev passed away after he had submitted the volume for publication.

Methods for Structure Elucidation by High-Resolution NMR

• 1st Edition
• Volume 8
• December 4, 1997
• G. Batta + 2 more
• English
• eBook 978-0-08-053650-7

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Nuclear Magnetic Resonance Spectroscopy (NMR) is now widely regarded as having evolved into a subscience. The field has become immensely diverse, ranging from medical use through solid state NMR to liquid state applications, with countless books and scientific journals devoted to these topics. Theoretical as well as experimental advance continues to be rapid, and has in fact accelerated by many novel innovations. This multi-authored book focuses on the latest developments in the rapidly evolving field of high resolution NMR, specifically with a view to applications on the structure elucidation of organic molecules of moderate molecular weight. Conceptually it differs from basic educational texts, hard-core scientific papers and regular review articles in that each chapter may be regarded as the authors' personal account of their special insights and results that crystallised after several years of research into a given topic. The book revolves around several themes and offers a handful of scientific "gems" of various colors, reflecting the great diversity of NMR. It contains 16 loosely connected chapters written by some of today's most accomplished NMR scientists in the world. Each chapter is a unique synthesis of the authors' previous research results in the given field, and thus projects special insights. Much emphasis has been given to the latest developments in NMR, in particular to selective pulses and pulsed field gradients. As a part of the series "Analytical Spectroscopy Library", with subsequent editions coming along this book should provide a platform for future research accounts of similar flavor. The material is presented in a mostly non-mathematical fashion, and is intended mainly for chemists, application NMR scientists and students with already some background in NMR. Some of the chapters slightly overlap in the discussed topics, which is particularly exciting in terms of gaining insight into the same area from different angles.

Advances in Molecular Structure Research

• 1st Edition
• Volume 3
• March 8, 1997
• Magdolna Hargittai + 1 more
• English
• eBook 978-0-08-054590-5

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Advances in Molecular Similarity

• 1st Edition
• Volume 1
• December 17, 1996
• R. Carbo-Dorca + 1 more
• English
• eBook 978-0-08-055271-2

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The aim of this text is to provide reviews and monographs on topics involving molecular similarity, ranging from the fundamental physical properties underlying molecular behaviour to applications in industrially important fields such as pharmaceutical drug design and molecular engineering. The editors hope that this series will encourage new ideas and approaches, help to systematize the rapidly accumulating new chemical information, and make chemistry better understood and better applied.

Vibrational Intensities

• 1st Edition
• Volume 22
• November 22, 1996
• B.S. Galabov + 1 more
• English
• eBook 978-0-08-054355-0

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The current volume is a single topic volume on the vibrational intensities in the infrared and Raman spectra. Vibrational intensities in infrared and Raman spectra are important physical quantities that are directly related to the distribution and fluctuations of electric charges in the molecule. These spectral parameters can be experimentally determined with good accuracy for many molecules. Additionally, infrared and Raman intensities are presently estimated theoretically by advanced analytical derivative ab initio molecular orbital methods. These fundamental molecular quantities are being used in structural, and other studies, on a limited basis.Features of this book- Presents in a systematic way, the theoretical approaches that are used in analyzing and predicting vibrational intensities- The formalisms developed are illustrated with detailed numerical examples- Most of the theoretical models described were obtained and then applied to chosen molecules- A consistent notation is used in presenting the different theoretical approaches, thus eliminating another barrier in understanding some methods, especially those developed by the Russian spectroscopic school.