Because of high porosity, diverse functionalities, and easy modification, metal-organic
frameworks (MOFs) have important applications in adsorption. Although there are several …

Based on the attributes of nonflammability, environmental benignity, and cost-effectiveness
of aqueous electrolytes, as well as the favorable compatibility of zinc metal with them …

Photocatalytic H 2 O 2 production from H 2 O and O 2 is a sustainable alternative to the
present anthraquinone process, but most available systems need sacrificial reagents to …

Kohn-Sham density functional theory (DFT) has become established as an indispensable
tool for investigating aqueous systems of all kinds, including those important in chemistry …

Aqueous rechargeable Zn metal batteries (ARZBs) are extensively studied recently because
of their low‐cost, high‐safety, long lifespan, and other unique merits. However, the terrible …

The nature of the intermolecular forces between water molecules is the same in small
hydrogen-bonded clusters as in the bulk. The rotational spectra of the clusters therefore give …

A novel definition for the hydrogen bond is recommended here. It takes into account the
theoretical and experimental knowledge acquired over the past century. This definition …

Electronic structure calculations represent an essential complement of experiments to
characterize single‐atom catalysts (SACs), consisting of isolated metal atoms stabilized on a …

The term “hydrogen bond” has been used in the literature for nearly a century now. While its
importance has been realized by physicists, chemists, biologists, and material scientists …

This overview of energy landscapes will focus on some rigorous properties of potential
energy surfaces (PES's), especially the symmetry properties of steepest-descent paths, and …