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Das Buch bedient sich zunächst der Sprache von Kristallorbitalen, Bandstrukturen und Zustandsdichten. Danach stellt es die Werkzeuge bereit, mit denen der Leser weg von den stark delokalisierten Orbitalen des Festkörpers gelangt, darunter der Zerfall von Zustandsdichten und die Population von Kristallorbital-Overlaps. Mit diesen Werkzeugen schafft es der Autor, detaillierte quantenmechanische Berechnungen mit der chemischen Betrachtungsweise mit Grenzorbitalen zu verknüpfen. Die beschriebenen Anwendungen umfassen eine allgemeine Vorstellung der Chemisorption, Bindungsbildung und -zerfall im festen Zustand, Bindungen im Metall, die Elektronenstruktur ausgewählter leitender und supraleitender Verbindungen sowie die für die Deformation ausgedehnter Systeme verantwortlichen Kräfte.
Das Buch bedient sich zunächst der Sprache von Kristallorbitalen, Bandstrukturen und Zustandsdichten. Danach stellt es die Werkzeuge bereit, mit denen der Leser weg von den stark delokalisierten Orbitalen des Festkörpers gelangt, darunter der Zerfall von Zustandsdichten und die Population von Kristallorbital-Overlaps. Mit diesen Werkzeugen schafft es der Autor, detaillierte quantenmechanische Berechnungen mit der chemischen Betrachtungsweise mit Grenzorbitalen zu verknüpfen. Die beschriebenen Anwendungen umfassen eine allgemeine Vorstellung der Chemisorption, Bindungsbildung und -zerfall im festen Zustand, Bindungen im Metall, die Elektronenstruktur ausgewählter leitender und supraleitender Verbindungen sowie die für die Deformation ausgedehnter Systeme verantwortlichen Kräfte.
Roald Hoffmann, born in Zloczow, Poland but educated in the US, is the Frank H. T. Rhodes Professor of Humane Letters at Cornell University. One of America's most distinguished chemists, he was awarded the Nobel Prize in Chemistry. A member of the US National Academy of Sciences and the American Academy of Arts and Sciences as well as many foreign academies, Hoffmann has received 26 honorary doctorates together with numerous other honors such as the National Medal of Science. Hoffmann is the only person ever to receive the American Chemical Society's top awards in three sub- disciplines: organic chemistry, inorganic chemistry, and chemical education. For the past dozen years, Hoffmann has simultaneously pursued a literary career. He is the author of three books of poetry, "The Metamict State", "Gaps and Verges", and "Memory Effects". His three non-fiction books deal with the overall theme of the creative and humanistic sparks of chemistry: An art/science/literature collaboration with artist Vivian Torrence, "Chemistry Imagined"; "The Same and Not the Same"; and "Old Wine, New Flasks: Reflections on Science and Jewish Tradition," in collaboration with Shira Leibowitz Schmidt. Hoffmann is also is the presenter of a television course, "The World of Chemistry", which has aired on many PBS Stations and abroad.
Introduction
Orbitals and Bands in One Dimension
Bloch Functions, k, Band Structures
Band Width
See How they Run
An Eclipsed Stack of Pt(II) Square Planar Complexes
The Fermi Level
More Dimensions, At Least Two
Setting Up a Surface Problem
Density of States
Where Are The Electrons?
The Detective Work of Tracing Molecule-Surface Interactions: Decomposition of the DOS
Where Are the Bonds?
A Solid State Sample Problem: ThCr_2Si_2 Structure
The Frontier Orbital Perspective
Orbital Interaction on a Surface
A Case Study: CO on Ni(100)
Barriers to Chemisorption
Chemisorption Is a Compromise
Frontiers Orbitals in Three-Dimensional Extended Structures
More Than One Electronic Unit in the Unit Cell, Folding Bands
Making Bonds in a Crystal
The Peierls Distortion
A Brief Excursion into the Third Dimension
Qualitative Reasoning About Orbital Interactions on Surfaces
The Fermi Level Matters
Another Methodology and Some Credits
What's New in the Solid
References
Index
| Erscheinungsjahr: | 1991 |
|---|---|
| Fachbereich: | Physikalische Chemie |
| Genre: | Chemie |
| Rubrik: | Naturwissenschaften & Technik |
| Medium: | Buch |
| Inhalt: |
160 S.
177 s/w Illustr. 4 s/w Tab. 181 Illustr. |
| ISBN-13: | 9780471187103 |
| ISBN-10: | 0471187100 |
| Sprache: | Englisch |
| Einband: | Gebunden |
| Autor: | Hoffmann, Roald |
| Hersteller: |
Wiley
John Wiley & Sons |
| Maße: | 222 x 145 x 12 mm |
| Von/Mit: | Roald Hoffmann |
| Erscheinungsdatum: | 16.01.1991 |
| Gewicht: | 0,338 kg |
Roald Hoffmann, born in Zloczow, Poland but educated in the US, is the Frank H. T. Rhodes Professor of Humane Letters at Cornell University. One of America's most distinguished chemists, he was awarded the Nobel Prize in Chemistry. A member of the US National Academy of Sciences and the American Academy of Arts and Sciences as well as many foreign academies, Hoffmann has received 26 honorary doctorates together with numerous other honors such as the National Medal of Science. Hoffmann is the only person ever to receive the American Chemical Society's top awards in three sub- disciplines: organic chemistry, inorganic chemistry, and chemical education. For the past dozen years, Hoffmann has simultaneously pursued a literary career. He is the author of three books of poetry, "The Metamict State", "Gaps and Verges", and "Memory Effects". His three non-fiction books deal with the overall theme of the creative and humanistic sparks of chemistry: An art/science/literature collaboration with artist Vivian Torrence, "Chemistry Imagined"; "The Same and Not the Same"; and "Old Wine, New Flasks: Reflections on Science and Jewish Tradition," in collaboration with Shira Leibowitz Schmidt. Hoffmann is also is the presenter of a television course, "The World of Chemistry", which has aired on many PBS Stations and abroad.
Introduction
Orbitals and Bands in One Dimension
Bloch Functions, k, Band Structures
Band Width
See How they Run
An Eclipsed Stack of Pt(II) Square Planar Complexes
The Fermi Level
More Dimensions, At Least Two
Setting Up a Surface Problem
Density of States
Where Are The Electrons?
The Detective Work of Tracing Molecule-Surface Interactions: Decomposition of the DOS
Where Are the Bonds?
A Solid State Sample Problem: ThCr_2Si_2 Structure
The Frontier Orbital Perspective
Orbital Interaction on a Surface
A Case Study: CO on Ni(100)
Barriers to Chemisorption
Chemisorption Is a Compromise
Frontiers Orbitals in Three-Dimensional Extended Structures
More Than One Electronic Unit in the Unit Cell, Folding Bands
Making Bonds in a Crystal
The Peierls Distortion
A Brief Excursion into the Third Dimension
Qualitative Reasoning About Orbital Interactions on Surfaces
The Fermi Level Matters
Another Methodology and Some Credits
What's New in the Solid
References
Index
| Erscheinungsjahr: | 1991 |
|---|---|
| Fachbereich: | Physikalische Chemie |
| Genre: | Chemie |
| Rubrik: | Naturwissenschaften & Technik |
| Medium: | Buch |
| Inhalt: |
160 S.
177 s/w Illustr. 4 s/w Tab. 181 Illustr. |
| ISBN-13: | 9780471187103 |
| ISBN-10: | 0471187100 |
| Sprache: | Englisch |
| Einband: | Gebunden |
| Autor: | Hoffmann, Roald |
| Hersteller: |
Wiley
John Wiley & Sons |
| Maße: | 222 x 145 x 12 mm |
| Von/Mit: | Roald Hoffmann |
| Erscheinungsdatum: | 16.01.1991 |
| Gewicht: | 0,338 kg |
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