Code: 16614135
Quantum Computational Chemistry
by Taku Onishi
This book is for both theoretical and experimental chemists to begin quantum molecular orbital calculations for functional materials. First, the theoretical background including the molecular orbital calculation method and modelli ... more
- Language:
English - Binding: Hardback
- Number of pages: 290
Publisher: Springer Verlag, Singapore, 2017
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185.70 €
RRP: 190.80 €
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Book synopsis
This book is for both theoretical and experimental chemists to begin quantum molecular orbital calculations for functional materials. First, the theoretical background including the molecular orbital calculation method and modelling are explained. This is followed by an explanation of how to do modelling and calculation and to interpret calculated molecular orbitals, with many research examples in the field of batteries, catalysts, organic molecules and biomolecules. Finally, future trends in computational chemistry are introduced.
Book details
Book category Books in English Mathematics & science Chemistry Physical chemistry
185.70 €
- Full title: Quantum Computational Chemistry
- Subtitle: Modelling and Calculation for Functional Materials
- Author: Taku Onishi
- Language: English
- Binding: Hardback
- Number of pages: 290
- EAN: 9789811059322
- ISBN: 9811059322
- ID: 16614135
- Publisher: Springer Verlag, Singapore
- Weight: 6348 g
- Dimensions: 235 × 155 × 18 mm
- Date of publishing: 05. October 2017
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