Crystallization of the antimicrobial compound furacin (nitrofurazone) from 96%, 50%, and
20% hydrogen peroxide (HP) led to three novel solvates C6H6N4O4· H2O2, C6H6N4O4 …

Hydrogen peroxide is one of the most important commercially used oxidant and exists
widely in the environment. It crystallizes in a tetragonal phase via hydrogen bond at around …

The potential of zero free charge (PZFC) value is a crucial parameter in electrochemistry.
However, the evaluations of PZFC have traditionally been difficult. To overcome this …

Scaling relations represent a fundamental limitation in electrocatalysis, particularly for the
oxygen reduction reaction (ORR), which underpins energy conversion technolo gies such as …

In this work, a series of DFT and DFT‐D methods is combined with double‐ζ basis sets to
benchmark their performance in predicting the structures of five newly synthesized …