Quantum Crystallography

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.

• | Author: Chérif F. Matta, Lulu Huang, Lou Massa
• | Publisher: Walter De Gruyter
• | Publication Date: Aug 21, 2023
• | Number of Pages: 200 pages
• | Language: English
• | Binding: Hardcover
• | ISBN-10: 3110565668
• | ISBN-13: 9783110565669