This review covers a family of atomistic, mostly quantum chemistry (QC) based
semiempirical methods for the fast and reasonably accurate description of large molecules …

Hydrogen-bonded organic frameworks (HOFs), self-assembled from strategically pre-
designed molecular tectons with complementary hydrogen-bonding patterns, are rapidly …

Technologies such as batteries, biomaterials and heterogeneous catalysts have functions
that are defined by mixtures of molecular and mesoscale components. As yet, this multi …

Here we summarize recent progress in machine learning for the chemical sciences. We
outline machine-learning techniques that are suitable for addressing research questions in …

In the last century, molecular crystals functioned predominantly as a means for determining
the molecular structures via X-ray diffraction, albeit as the century came to a close the …

The study of hydrogen-bonding (H-bonding) interactions can be traced back to over a
century ago. Recent practices on H-bonding chemistry for constructing extended frameworks …

Hydrogen-bonded organic frameworks (HOFs) represent an interesting type of polymeric
porous materials that can be self-assembled through H-bonding between organic linkers. To …

Hydrogen-bonded organic frameworks (HOFs), self-assembled from organic or metalated
organic building blocks (also termed as tectons) by hydrogen bonding, π–π stacking, and …