Online Library TheLib.net » Quantum Computational Chemistry: Modelling and Calculation for Functional Materials
cover of the book Quantum Computational Chemistry: Modelling and Calculation for Functional Materials

Ebook: Quantum Computational Chemistry: Modelling and Calculation for Functional Materials

Author: Onishi Taku

00
07.02.2024
0
0
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.
Download the book Quantum Computational Chemistry: Modelling and Calculation for Functional Materials for free or read online
Read Download

Continue reading on any device:
QR code
Last viewed books
Related books
Comments (0)
reload, if the code cannot be seen