Kniha Quantum Computational Chemistry Taku Onishi

Quantum Computational Chemistry

Modelling and Calculation for Functional Materials

Autor: Taku Onishi
Jazyk: Angličtina
Väzba: Pevná
Dostupnosť: Skladom u dodávateľa
Odosielame za 10-13 dní
169.85
This book is for both theoretical and experimental chemists to begin quantum molecular orbital calcu...

Informácie o knihe

Autor
Jazyk
Angličtina
Väzba
Kniha - Pevná
Vydalo
2017
Stránok
290
EAN
9789811059322
ISBN
9811059322
Enbook ID
16614135
Hmotnosť
6348
Rozmery
155 x 235 x 18

Kompletný 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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