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Quantum Computational Chemistry

Name: Quantum Computational Chemistry
Brand: Springer Verlag, Singapore
SKU: 21076262
Price: 155.48 EUR
Availability: InStock
Author: Taku Onishi
ISBN: 9789811355288

Modelling and Calculation for Functional Materials

Taku Onishi

Jezik

Angleščina

Knjiga Mehka

Koda Libristo: 21076262

Založba Springer Verlag, Singapore, november 2017

This book is for both theoretical and experimental chemists to begin quantum molecular orbital calcu... Celoten opis

Koda Libristo: 21076262

377 b

155.48 €

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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.