The development of advanced methodologies in theoretical chemistry has been crucial to improve our microscopic understanding of molecular processes, not only enhancing our ability to model and predict ...

Obtaining a solution to the many-electron Schrödinger equation stands as one of the grand challenges in chemistry and physics. Highly accurate solutions are achievable for relatively small systems ...

(a) Schematic of the liquid cell for XAS analysis of metal porphyrin complexes in aqueous solutions. XAS spectra of the central metals were obtained at the Fe or Co L 2,3-edge and those of ligands ...