Quantenchemie: Von Quantentheorie über chemische Bindung zu Computerchemie

Michael Springborg

Published by De Gruyter 2024

Quantenchemie

Von Quantentheorie über chemische Bindung zu Computerchemie

Quantum Chemistry: From Quantum Theory and Chemical Bonding to Computational Chemistry

Michael Springborg

In the series De Gruyter Studium

https://doi.org/10.1515/9783111215075

Overview
Contents

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.

Ausführliche Behandlung von Chemischer Bindung und Computerchemie.

Über 100 Aufgaben mit Lösungen.

Unterstützt ideal die Prüfungsvorbereitung.

Author / Editor information

Michael Springborg, University of the Saarland, Saarbrücken, Germany.

Topics

Frontmatter Publicly Available Download PDF	I
Vorbemerkung Publicly Available Download PDF	V
Inhalt Publicly Available Download PDF	VII
1 Warum Quantentheorie? Requires Authentication Unlicensed Licensed Download PDF	1
2 Basis der Quantentheorie Requires Authentication Unlicensed Licensed Download PDF	16
3 Operatoren und Quantentheorie Requires Authentication Unlicensed Licensed Download PDF	28
4 Teilchen im Kasten Requires Authentication Unlicensed Licensed Download PDF	50
5 Mehr oder weniger freie Teilchen Requires Authentication Unlicensed Licensed Download PDF	77
6 Schwingungen Requires Authentication Unlicensed Licensed Download PDF	95
7 Rotationen Requires Authentication Unlicensed Licensed Download PDF	112
8 Das Wasserstoffatom Requires Authentication Unlicensed Licensed Download PDF	138
9 Grundlagen der genäherten Verfahren Requires Authentication Unlicensed Licensed Download PDF	159
10 Zwei Konzepte der Chemie Requires Authentication Unlicensed Licensed Download PDF	186
11 Atome Requires Authentication Unlicensed Licensed Download PDF	213
12 Die kleinsten Moleküle Requires Authentication Unlicensed Licensed Download PDF	232
13 Andere zweiatomige Moleküle Requires Authentication Unlicensed Licensed Download PDF	246
14 Hartree-Fock-Roothaan-basierte Methoden Requires Authentication Unlicensed Licensed Download PDF	264
15 Dichtefunktionaltheorie Requires Authentication Unlicensed Licensed Download PDF	293
16 Eigenschaften Requires Authentication Unlicensed Licensed Download PDF	317
17 Systeme Requires Authentication Unlicensed Licensed Download PDF	352
18 Ergänzende Informationen Requires Authentication Unlicensed Licensed Download PDF	368
19 Mathematische Formeln Requires Authentication Unlicensed Licensed Download PDF	380
Stichwortverzeichnis Requires Authentication Unlicensed Licensed Download PDF	383

(Deutsch)

Language: German
Publisher: De Gruyter
Edition: 2., ergänzte Auflage
Audience: Bachelor's students majoring and minoring in chemistry and materials science
Pages
- Front matter: 12
- Main content: 390
Illustrations
- Illustrations: 92
- Coloured Illustrations: 72
- Tables: 24
Keywords: Quantum Theory; Quantum Chemistry; Chemical Bonding; Theoretical Chemistry; Molecular Modelling; Computational Chemistry

eBook

Published: November 6, 2023
ISBN: 9783111215075

Paperback

Published: November 6, 2023
ISBN: 9783111214535