Quantum Crystallography

Chérif F. Matta; Lulu Huang; Louis J. Massa

Ahead of Publication Published by De Gruyter 2023

Quantum Crystallography

Chérif F. Matta , Lulu Huang and Louis J. Massa

Overview

About this book

Quantum Crystallography is a novel scientific discipline combining quantum chemistry methods and crystal structure determination. The current book describes quantum-mechanical approaches to obtain crystallographic data of enhanced value and explains how they correlate with real diffraction and scattering experiments. In particular, the book covers DFT, Clinton equations, KEM and QTAIM methods and their applications in crystallographic studies.

Outlines the latest achievements and developments of this novel area of research.
Written by the leading scientists of the field.
Bridges together theoretical methods and experimental studies.

Author information

Prof. Chérif F. Matta, Mount Saint Vincent University, Canada. Prof. Louis J. Massa, Dr. Lulu Huang, City University of NY, USA.

Topics

(Deutsch)

Language: English
Publisher: De Gruyter
Audience: Quantum Chemists, Solid State Chemists&Physisists, Materials Scientists, specialists who work with crystallographic analyses.
Pages
- Front matter: 10
- Main content: 200
Illustrations
- Illustrations: 6
- Coloured Illustrations: 26
- Tables: 3
Keywords: Solid State Chemistry; Crystallography; Quantum Chemistry; Quantum Mechanics.

eBook

Planned Publication: May 22, 2023
ISBN: 9783110566673

Hardcover

Planned Publication: May 22, 2023
ISBN: 9783110565669