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Quantenchemie
Von Quantentheorie über chemische Bindung zu Computerchemie
Language:
German
Published/Copyright:
2024
About this book
This volume provides a concise introduction to quantum chemistry and shows why the electronic behavior of atoms, molecules, and their chemical bonding can only be understood by way of quantum chemistry. It includes extensive discussions of applications such as spectroscopic methods of characterizing substances and computer-based techniques for modeling chemical molecules.
Second edition: new material on orbital models and spherical atoms.
Author / Editor information
Michael Springborg, University of the Saarland, Saarbrücken, Germany.
Topics
-
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Frontmatter
I -
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Vorbemerkung
V -
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Inhalt
VII -
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1 Warum Quantentheorie?
1 -
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2 Basis der Quantentheorie
16 -
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3 Operatoren und Quantentheorie
28 -
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4 Teilchen im Kasten
50 -
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5 Mehr oder weniger freie Teilchen
77 -
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6 Schwingungen
95 -
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7 Rotationen
112 -
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8 Das Wasserstoffatom
138 -
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9 Grundlagen der genäherten Verfahren
159 -
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10 Zwei Konzepte der Chemie
186 -
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11 Atome
213 -
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12 Die kleinsten Moleküle
232 -
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13 Andere zweiatomige Moleküle
246 -
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14 Hartree-Fock-Roothaan-basierte Methoden
264 -
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15 Dichtefunktionaltheorie
293 -
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16 Eigenschaften
317 -
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17 Systeme
352 -
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18 Ergänzende Informationen
368 -
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19 Mathematische Formeln
380 -
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Stichwortverzeichnis
383
Publishing information
Pages and Images/Illustrations in book
eBook published on:
November 6, 2023
eBook ISBN:
9783111215075
Paperback published on:
November 6, 2023
Paperback ISBN:
9783111214535
Edition:
2., ergänzte Auflage
Pages and Images/Illustrations in book
Front matter:
12
Main content:
390
Illustrations:
92
Coloured Illustrations:
72
Tables:
24
Keywords for this book
Quantum Theory; Quantum Chemistry; Chemical Bonding; Theoretical Chemistry; Molecular Modelling; Computational Chemistry
Audience(s) for this book
Bachelor's students majoring and minoring in chemistry and materials science
Safety & product resources
- Manufacturer information:
- Walter de Gruyter GmbH
Genthiner Straße 13
10785 Berlin - productsafety@degruyterbrill.com