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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.
Gewicht:
490 g
Autor:
Chérif Matta, Louis Massa, Lulu Huang
Verlag:
Medienart:
Bücher
Sprache:
Englisch
EAN:
9783110565669
Seiten:
200
Höhe in mm:
240
Breite in mm:
170
Erscheinungsjahr:
2023
Kategorien: Geologie und Mineralogie