These datasets are sessions of the software chimeraX, used for visualisation and analysis of molecular structures and cryo-EM densities. Here, we show all the molecular predictions obtained using AF_u
Recently, dithienopyrazines have emerged as promising building blocks in the field of materials science, showcasing their potential as hole-transport materials in organic electronic devices. Herein, w
The supplementary material contains: (i) convergence with respect to HBCI thresholds; (ii) a comparison of the XC potential and its non-XC-hole component; (iii) comparison of Kohn-Sham eigenvalues fro
