£123.83

Springer Quantum Computational Chemistry: Modelling and Calculation for Functional Materials

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Description

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.

Product Specifications

Colour
White
Format
hardcover
Domain
Amazon UK
Release Date
05 October 2017
Listed Since
22 June 2017

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