Carte Quantum Computational Chemistry Taku Onishi

Quantum Computational Chemistry

Modelling and Calculation for Functional Materials

Autor: Taku Onishi
Limbă: engleză
Legare: Copertă tare
Disponibilitate: În depozitul extern
Expediem în 10-13 zile
937.43 lei
This book is for both theoretical and experimental chemists to begin quantum molecular orbital calcu...

Informații despre carte

Autor
Limbă
engleză
Legare
Carte - Copertă tare
Publicat
2017
Pagini
290
EAN
9789811059322
ISBN
9811059322
Enbook ID
16614135
Greutate
6348
Dimensiuni
155 x 235 x 18

Descriere completă

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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