Quantum Computational Chemistry

Modelling and Calculation for Functional Materials

Nonfiction, Science & Nature, Science, Chemistry, Physical & Theoretical, Technical & Industrial
Cover of the book Quantum Computational Chemistry by Taku Onishi, Springer Singapore
View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart
Author: Taku Onishi ISBN: 9789811059339
Publisher: Springer Singapore Publication: September 22, 2017
Imprint: Springer Language: English
Author: Taku Onishi
ISBN: 9789811059339
Publisher: Springer Singapore
Publication: September 22, 2017
Imprint: Springer
Language: English

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. 

View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart

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. 

More books from Springer Singapore

Cover of the book Designing Service Machines by Taku Onishi
Cover of the book The Mind of an Engineer by Taku Onishi
Cover of the book Long-Life Design and Test Technology of Typical Aircraft Structures by Taku Onishi
Cover of the book Diverging Destinies by Taku Onishi
Cover of the book Large Dams by Taku Onishi
Cover of the book Psychological Perspectives on Diversity and Social Development by Taku Onishi
Cover of the book Dynamic Chemical Processes on Solid Surfaces by Taku Onishi
Cover of the book Introduction to Computational Mass Transfer by Taku Onishi
Cover of the book Induction Motor Fault Diagnosis by Taku Onishi
Cover of the book Advances in Commutative Algebra by Taku Onishi
Cover of the book Futuristic Composites by Taku Onishi
Cover of the book Chronic Regulatory Focus and Financial Decision-Making by Taku Onishi
Cover of the book Organelle Contact Sites by Taku Onishi
Cover of the book Microbial Models: From Environmental to Industrial Sustainability by Taku Onishi
Cover of the book Developments and Advances in Defense and Security by Taku Onishi
We use our own "cookies" and third party cookies to improve services and to see statistical information. By using this website, you agree to our Privacy Policy