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 mode...

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Bibliographic Details
Main Author: Onishi, Taku (Author)
Corporate Author: SpringerLink (Online service)
Format: e-Book
Language:English
Published: Singapore : Springer Nature Singapore : Imprint: Springer, 2018.
Edition:1st ed. 2018.
Subjects:
Chemistry, Physical and theoretical.
Electrochemistry.
Catalysis.
Chemistry, Organic.
Theoretical Chemistry.
Organic Chemistry.
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