Książka Quantum Computational Chemistry Taku Onishi

Quantum Computational Chemistry

Modelling and Calculation for Functional Materials

Autor: Taku Onishi
Język: Angielski
Oprawa: Twarda
Dostępność: Dostępna u dostawcy
Wysyłamy za 10-13 dni
718.34
This book is for both theoretical and experimental chemists to begin quantum molecular orbital calcu...

Informacje o książce

Autor
Język
Angielski
Oprawa
Książka - Twarda
Data wydania
2017
strony
290
EAN
9789811059322
ISBN
9811059322
Enbook ID
16614135
Waga
6348
Wymiary
155 x 235 x 18

Pełny opis

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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