Kód: 16614135

Quantum Computational Chemistry

Name: Quantum Computational Chemistry
Brand: Springer Verlag, Singapore
SKU: 16614135
Price: 4002.00 CZK
Availability: InStock
Author: Taku Onishi
ISBN: 9789811059322

Autor Taku Onishi

Jazyk: Angličtina
Vazba: Pevná
Počet stran: 290
Nakladatelství: Springer Verlag, Singapore, 2017
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Anotace knihy

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.