The use of effective core potentials in Hirshfeld atom refinement making quantum crystallography faster in NoSpherA2

von Kleemiss, Florian
Veröffentlicht in: Journal of applied crystallography (2025)

Refinement of X-ray and electron diffraction crystal structures using analytical Fourier transforms of Slater-type atomic wavefunctions in Olex2

von Kleemiss, Florian
Veröffentlicht in: Journal of applied crystallography (2024)

Aspherical atom refinements on X-ray data of diverse structures including disordered and covalent organic framework systems a time-accuracy trade-off

von Jha, Kunal Kumar
Veröffentlicht in: Journal of applied crystallography (2023)