21st century challenges in chemical crystallography ii: structural correlations and data interpretation
Éditeur :
Springer Nature Switzerland AG
ISBN :
9783030647490
Date de publication :
22 janv. 2022
Dimensions :
23,5 x 15,5 cm
Langue :
Anglais
Pays d'origine :
Suisse
In quantum crystallography, quantum mechanical wavefunctions are used to extract information about bonding and properties from the measured X-ray structure factors. The advent of quantum crystallography has resulted in form and structure factors derived from quantum mechanics which have been used in advanced refinement and wavefunction fitting.