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.
- ISBN10 3110565668
- ISBN13 9783110565669
- Publish Date 3 December 2022
- Publish Status Forthcoming
- Publish Country DE
- Imprint De Gruyter
- Format Hardcover
- Pages 210
- Language English
- URL https://degruyter.com/isbn/9783110565669