Non‐covalent interactions play a crucial role in (supramolecular) chemistry and much of
biology. Supramolecular forces can indeed determine the structure and function of a host …

The tetrel bond (TB) recruits an element drawn from the C, Si, Ge, Sn, Pb family as electron
acceptor in an interaction with a partner Lewis base. The underlying principles that explain …

Quantum calculations are used to examine the properties of heterodimers formed by a
series of tetrel-containing molecules with NH3 as universal Lewis base. TH4 was taken as a …

In addition to the standard halogen bond formed when NH 3 approaches XCN (X= F, Cl, Br,
I) along its molecular axis, a perpendicular approach is also possible, toward a π-hole that is …

The interactions of halides with a number of bipodal receptors were examined by quantum
chemical methods. The receptors were based on a dithieno thiophene framework in which …

The additional substituents arising from hypervalency present a number of complicating
issues for the formation of noncovalent bonds. The XF5 molecule (X= Cl, Br, I) was allowed …

Four Pb (II) complexes of (iso) nicotinohydrazide-based ligands and different anionic
coligands (azide, nitrate, acetate and iodide) have been synthesized and characterized by …

The N··· S chalcogen bond between SF4 and a series of alkyl and arylamines is examined
via ab initio calculations. This bond is a strong one, with a binding energy that varies from a …

Extensive ab initio MP2/aug'-cc-pVTZ studies have been carried out in our laboratories to
determine the structures, binding energies, bonding properties, and EOM-CCSD spin-spin …

Atoms in molecules, noncovalent index, and natural bond orbital methods are commonly
invoked to identify the presence of various noncovalent bonds and to measure their strength …