Overview
- Appeals to both theoretical and experimental chemists
- Explains how to do modelling and calculation through many research examples
- Demonstrates how to interpret calculated molecular orbitals
- Includes supplementary material: sn.pub/extras
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Table of contents (16 chapters)
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Theoretical Background of Quantum Chemistry
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Atomic Orbital, and Molecular Orbital of Diatomic Molecule
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Theoretical Background of Inorganic Chemistry
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Advanced Inorganic Materials
Keywords
About this book
Authors and Affiliations
About the author
Bibliographic Information
Book Title: Quantum Computational Chemistry
Book Subtitle: Modelling and Calculation for Functional Materials
Authors: Taku Onishi
DOI: https://doi.org/10.1007/978-981-10-5933-9
Publisher: Springer Singapore
eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)
Copyright Information: Springer Nature Singapore Pte Ltd. 2018
Hardcover ISBN: 978-981-10-5932-2Published: 05 October 2017
Softcover ISBN: 978-981-13-5528-8Published: 25 December 2018
eBook ISBN: 978-981-10-5933-9Published: 22 September 2017
Edition Number: 1
Number of Pages: XIII, 290
Number of Illustrations: 24 b/w illustrations, 147 illustrations in colour
Topics: Theoretical and Computational Chemistry, Electrochemistry, Catalysis, Organic Chemistry