An empirical potential based on permanent atomic multipoles and atomic induced dipoles is
reported for alkanes, alcohols, amines, sulfides, aldehydes, carboxylic acids, amides …

Non corrosive gas, such as CO 2, is an environment greenhouse pollutant, but at the same
time it is a reusable material with a highly attractive application profile and potential as a …

Stereoselective Diels− Alder cycloadditions that probe substituent effects in aryl− aryl
sandwich complexes were studied experimentally and theoretically. Computations on model …

Non‐covalent interactions with aromatic rings pervade modern chemical research. The
strength and orientation of these interactions can be tuned and controlled through …

Noncovalent interactions involving aromatic rings, such as π‐stacking and CH/π
interactions, are central to many areas of modern chemistry. However, recent studies proved …

We report hydrogen-bonded complexes of H2S with indole and 3-methyl indole stabilized by
the S− H··· π interaction. It is interesting to discover that although sulfur and its hydrides are …

RNA modulation via small molecules is a novel approach in pharmacotherapies, where the
determination of the structural properties of RNA motifs is considered a promising way to …

We have investigated the role of ring sizes and substituents in NHC ligands in some (NHC)
Au (I) complexes in the hydration of internal alkynes. Despite the fact that using (NHC) Au (I) …

A theoretical investigation was performed to study cation− π interactions in complexes of
benzene (Bz) with cations, that is, M z+(Bz) n for M z+= Na+, Mg2+, Fe2+ and n= 1–3, using …

Intramolecular π–π interactions are a significant research focus in fields such as chemistry,
biology, and materials science. Different configurations of benzene–benzene moieties within …