POR-PSK

Optimized geometries obtained with GAMESS-US using the B3PW91 hybrid functional with the LANL2DZ basis set. These geometries are for the paper: "C-N linked donor type porphyrin derivatives: unrevealed hole-transporting materials for efficient hybrid perovskite solar cells" by Melani J. A. Reis, Ana T. Nogueira, Ana Eulálio, Nuno M. M. Moura, Joana Rodrigues, Dzmitry Ivanou, Paulo E. Abreu, M. Rosário P. Correia, Maria G. P. M. S. Neves, Ana M. V. M. Pereira and Adélio Mendes