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Quantum Computational Chemistry

Modelling and Calculation for Functional Materials

Language EnglishEnglish
Book Hardback
Book Quantum Computational Chemistry Taku Onishi
Libristo code: 16614135
Publishers Springer Verlag, Singapore, October 2017
This book is for both theoretical and experimental chemists to begin quantum molecular orbital calcu... Full description
? points 423 b
173.97 €
340.25  лв
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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
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

Categories

Mathematics & Science > Chemistry > Physical chemistry > Quantum & theoretical chemistry
Computing & Information Technology > Computer science > Mathematical theory of computation
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