Atoms in Molecules: A Quantum Theory (International Series of Monographs on Chemistry) [Paperback]

Richard F. W. Bader (Author)

Book Description

ISBN-10: 0198558651 | ISBN-13: 978-0198558651 | Publication Date: June 16, 1994

The molecular structure hypothesis--that a molecule is a collection of atoms linked by a network of bonds-- provides the principal means of ordering and classifying observations in chemistry. However this hypothesis is not related directly to the physics which governs the motions of atomic nuclei and electrons. It is the purpose of this important new book to show that a theory can be developed to establish the molecular structure hypothesis, demonstrating that the atoms in a molecule are real, with properties predicted and defined by the laws of quantum mechanics, and that the structure their presence imparts to a molecule is indeed a consequence of the underlying physics. As a result, the classification based upon the concept of atoms in molecules is freed from its empirical constraints and the full predictive power of quantum mechanics can be incorporated into the resulting theory--a theory of atoms in molecules. Eminently accessible and readable, the book will interest all scientists involved with experiment and observation at the atomic level, in addition to theoreticians.

Editorial Reviews

Review

"Presents an account of the theory that molecules are made up of atoms held together by bonds, addressed to scientists in a wide range of fields who perform experiments and collect observations on matter at the atomic level. It's true that this very theory has formed the basis of these very scientists' work for a century now, but it has never been quantified sufficiently to provide a mathematical assurance that those atoms are really there. A mathematical demonstration of the theory would free it from its empirical restraints and release the full predictive power of quantum mechanics. Each chapter increases in difficulty, so that readers can drop out when they reach their limit, go on to the next chapter, and end up with a full view of the argument." --University Press Book News

"Overall, Atoms in Molecules: A Quantum Theory is a very comprehensive monograph that I would strongly recommend not just to quantum chemists but also to anyone interested in a systematic and mathematically rigorous approach to understanding chemical and physical properties of molecules. Those who are not familiar with Bader's theory and manage to work through the formidable mathematics will appreciate its formal elegance and conceptual beauty. Those who know the theory and would like to have a convenient compendium with all the relevant equations and references handy will be equally satisfied.." --Science

"This book constitutes an authoritative and rigorous treatment of the quantum mechanics of atoms in molecules. . . .Mathematical aspects are well presented and rigorous derivations are given at the end of each chapter. . . .Clearly a must for chemistry and physics libraries alike." --Contemporary Physics

"A significant, highly scholarly, contribution." --Times Higher Education Supplement

"Very useful and detailed." --Journal of the American Chemical Society

About the Author

Richard F. W. Bader is at McMaster University.

Product Details

• Paperback: 458 pages
• Publisher: Oxford University Press, USA (June 16, 1994)
• Language: English
• ISBN-10: 0198558651
• ISBN-13: 978-0198558651
• Product Dimensions: 9.1 x 6.1 x 1.1 inches
• Shipping Weight: 1.6 pounds (View shipping rates and policies)
• Average Customer Review: 5.0 out of 5 stars  See all reviews (3 customer reviews)
• Amazon Best Sellers Rank: #1,895,888 in Books (See Top 100 in Books)

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Customer Reviews

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14 of 17 people found the following review helpful:

5.0 out of 5 stars A Beautiful Way to Understand Chemistry, September 16, 1997

By A Customer

This review is from: Atoms in Molecules: A Quantum Theory (International Series of Monographs on Chemistry) (Paperback)

The science of chemistry had always eluded me until I found this book. The author, Richard Bader, has, using computer graphics, quantum mechanics, and catastrophe theory created an approach to chemistry that is simultaneously rigorous, accurate, and, most importantly, understandable.

Anyone with an elementary knowledge of physics and mathematics can read this book and come away with a true understanding of chemical physics. Using the techniques pioneered by Bader and his students and colleagues, one can literally see the stability and reactivity properties of any molecule. And this is just the beginning.

Laboring "against the dominant paradigms" for years, Bader's theories are now gaining wide acceptance as a new crop of younger, more graphics-oriented computational chemists are entering the workforce. Hardly an issue of any journal in chemical physics now gets published wthout at least one article citing this book. Indeed, Richard Bader has become the most-cited physical scientist in Canada.

This is becoming the way to undertstand molecules, and I believe, over the next years, will become the way that theoretical chemistry is taught.

1 of 1 people found the following review helpful:

5.0 out of 5 stars book - Atoms in Molecules, November 9, 2011

By 

NorthTXguy - See all my reviews

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This review is from: Atoms in Molecules: A Quantum Theory (International Series of Monographs on Chemistry) (Paperback)

In the opinion of several world-class scientists, the author of this book should have received the nobel Prize in Chemistry for his work, of which this book is arguably his Magnum Opus. But, like Galileo, he was a bit too vociferous in his critique of the establishment. He writes lucidly, and has a riveting thesis - if you understand a bit about Physical Chemistry. Well worth the price. The book was mailed promptly, and is part of my permanent library.

1 of 1 people found the following review helpful:

5.0 out of 5 stars The ultimate theory of chemical bonding, June 22, 2011

By 

Pichierri Fabio (Japan) - See all my reviews
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This review is from: Atoms in Molecules: A Quantum Theory (International Series of Monographs on Chemistry) (Paperback)

I must admit that I bought this book several years ago but only now I feel confident writing a review about its content, the Quantum Theory of Atoms in Molecules (QTAIM) developed by Professor Richard Bader and coworkers. An important observation behind QTAIM is that the electronic charge density of any molecule or solid is an experimental observable which can be accurately determined with the aid of X-ray diffraction crystallography (see Prof. Coppens' book "X-Ray Charge Densities and Chemical Bonding" and Profs. Tsirelson and Ozerov's book "Electron Density and Bonding in Crystals: Principles, Theory and X-Ray Diffraction Experiments in Solid State Physics and Chemistry"). Experiments show that the electronic charge density is highest in regions where atoms (or better, nuclei) are located and lowest in the internuclear regions. It is the latter regions, however, which are important for chemical bonding. In other words, the accumulation of electronic charge density in the internuclear region is responsible for chemical bonding in molecules and solids. By analyzing the topological properties of the electron density, it is possible to quantitatively characterize atom-atom interactions on the basis of (quantum) physics. What turns out from the application of QTAIM to molecules is that the interactions or bonds which chemists have classified since the advent of X-ray crystallography differ only in the depth of their potential energy wells: the depth of a typical homo- or hetero-polar "covalent bond" is deeper than that of a Van der Waals interaction. Both, however, are characterized by an accumulation of electron density in the internuclear region which can be computed with modern electronic structure methods. This important feature or property allows one to investigate any type of interatomic or intermolecular interaction while avoiding subjective interpretations based on the analysis of the wavefunction. In my opinion, QTAIM represents the ultimate theory of chemical bonding by employing which any scientist with an open mind can disclose the fascinating properties of atoms and molecules. An interesting book that may serve as an intoduction to QTAIM is Prof. Popelier's book "Atoms in Molecules: An Introduction" while the book of Profs. Matta and Boyd "The Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug Design" presents many contributions about the recent developments and applications of QTAIM.