| Edition |
1st ed. |
| Description |
1 online resource (xxii, 760 pages) : illustrations |
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text txt rdacontent |
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computer c rdamedia |
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online resource cr rdacarrier |
| Series |
Theoretical and computational chemistry ; 6 |
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Theoretical and computational chemistry ; 6.
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| Summary |
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. |
| Bibliography |
Includes bibliographical references and index. |
| Note |
Print version record. |
| Contents |
Front Cover; Pauling's Legacy Modern Modelling of the Chemical Bond; Copyright Page; Table of Contents; Prologue: The Chemical Bond on the Eve of the 21st Century; Chapter 1. Theoretical Treatise on Molecular Structure and Geometry; Chapter 2. Beyond the Born-Oppenheimer Approximation; Chapter 3. The Mills-Nixon Effect: Fallacies, Facts and Chemical Relevance; Chapter 4. Predicting Structures of Compounds in the Solid State by the Global Optimization Approach; Chapter 5. Polarizability and Hyperpolarizability of Atoms and Ions; Chapter 6. Molecular Polarizabilities and Magnetizabilities. |
| Subject |
Chemical bonds.
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Molecules -- Mathematical models.
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Chemistry.
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Molecular structure.
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Chemistry |
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Molecular Structure |
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Molécules -- Modèles mathématiques.
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Chimie.
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Structure moléculaire.
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chemistry.
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molecular structure.
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SCIENCE -- Chemistry -- Physical & Theoretical.
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Molecular structure
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Chemistry
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Chemical bonds
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Molecules -- Mathematical models
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| Added Author |
Maksi, Z. B. (Zvonimir B.)
|
|
Orville-Thomas, W. J., 1921-
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| Added Title |
Modern modelling of the chemical bond |
| Other Form: |
Print version: Pauling's legacy. 1st ed. Amsterdam ; New York : Elsevier, 1999 0444825088 9780444825087 (DLC) 99010936 (OCoLC)40762515 |
| ISBN |
9780444825087 |
|
0444825088 |
|
9780080538525 (electronic bk.) |
|
0080538525 (electronic bk.) |
| Standard No. |
AU@ 000054979272 |
|
DEBBG BV042313851 |
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DEBSZ 367768631 |
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DEBSZ 482353384 |
|
NZ1 12433074 |
|
NZ1 15188843 |
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NZ1 16061368 |
|
