Application of quantum crystallographic methods in extended routine crystal structure determination of small molecules
A German–Serbian joint co-operation project between University of Novi Sad, Faculty of Sciences and Heinrich-Heine-Universität Düsseldorf. Funded by Ministry of Science, Technological Development and Innovation of the Republic of Serbia and Deutcher Akademischer Austauschdienst – DAAD. Project duration: From January 2024 to December 2025.
German Project Leader: Guido J. Reiß | Serbian Project Leader: Marko V. Rodić
Project start announcement
Our project delves into applying state-of-the-art quantum methodologies to routine structure determination in crystallography. Addressing cases with suboptimal data, disorder, and pseudo symmetry complications, we’re geared up—employing X-ray diffraction, DFT calculations, and crystal structure refinement for the challenges ahead!