Increasing interest in alternative methods for fuel generation and chemical synthesis has resulted in an increased focus on the development of electrocatalysts for energy relevant small molecule trans...

Ferric porphyrins catalyse the aerobic oxidative cleavage of 2,3-dimethylindole, mimicking dioxygenase enzymes. The data herein suggest that the indole reduces the FeIII(porphyrin) to FeII(porphyrin) ...

Molecular catalysts allow deeper study of underlying mechanisms relative to heterogeneous systems by offering a discrete active site to monitor. Mechanistic study with knowledge of key intermediates…

This article describes the philosophy behind- and new features in the ORCA quantum chemistry program suite, version 6.0.

Molecular chemistry of aluminum most commonly involves AlIII ions due to their noble gas electronic configurations. In contrast, the chemistry of AlII ions is underexplored and may contain undiscovere...

The oxygen reduction reaction (ORR) remains an important fixture in biological and synthetic systems for energy conversion and chemical functionalization. Late transition metals continue to dominate i...

The catalytic reduction of dioxygen (O2) is important in biological energy conversion and alternative energy applications. In comparison to Fe- and Co-based systems, examples of catalytic O2 reduction...

The Rotunda, a University of Virginia building designed by Thomas Jefferson, burned down in an 1895 fire, but an important, hidden part of the Rotunda survived: a chemical hearth.