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This book is for both theoretical and experimental chemists to begin quantum molecular orbital calcu...
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Libristo code: 16614135
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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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About the book
Full name
Quantum Computational Chemistry
Author
Taku Onishi
Language
English
English
Binding
Book - Hardback
Date of issue
2017
Number of pages
290
EAN
9789811059322
ISBN
9811059322
Libristo code
16614135
Publishers
Springer Verlag, Singapore
Weight
6348
Dimensions
155 x 235 x 18
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