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portada Quantum Computational Chemistry: Modelling and Calculation for Functional Materials
Type
Physical Book
Author
Publisher
Language
English
Pages
290
Format
Hardcover
Dimensions
24.4x16.7x2.2 cm
Weight
0.64 kg.
ISBN13
9789811059322
Categories

Quantum Computational Chemistry: Modelling and Calculation for Functional Materials

Taku Onishi (Author) · Springer · Hardcover

Quantum Computational Chemistry: Modelling and Calculation for Functional Materials - Onishi, Taku

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Synopsis "Quantum Computational Chemistry: Modelling and Calculation for Functional Materials"

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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The binding of this edition is Hardcover.

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