Kniha Quantum Computational Chemistry Taku Onishi

Quantum Computational Chemistry

Modelling and Calculation for Functional Materials

Autor: Taku Onishi
Jazyk: Angličtina
Vazba: Pevná
Dostupnost: Skladem u dodavatele
Odesíláme za 10-13 dnů
3 882
This book is for both theoretical and experimental chemists to begin quantum molecular orbital calcu...

Informace o knize

Autor
Jazyk
Angličtina
Vazba
Kniha - Pevná
Vydáno
2017
Stránek
290
EAN
9789811059322
ISBN
9811059322
Enbook ID
16614135
Hmotnost
6348
Rozměry
155 x 235 x 18

Kompletní popis

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.

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