Supramolecular chemistry is “the chemistry of the intermolecular bond, covering the
structures and functions of the entities formed by association of two or more chemical …

In the field of noncovalent interactions a new paradigm has recently become popular. It
stems from the analysis of molecular electrostatic potentials and introduces a label, which …

The σ-hole and π-hole are the regions with positive surface electrostatic potential on the
molecule entity; the former specifically refers to the positive region of a molecular entity …

Interaction energies computed with density functional theory can be divided into physically
meaningful components by symmetry-adapted perturbation theory (DFT-SAPT) or the …

The role of charge transfer in halogen bonding is the subject of an ongoing debate and
controversy. It is clear from experimental data that charge transfer occurs in halogen bonds …

The integration of radionuclide iodine molecules in metal–organic frameworks (MOFs) for
organic synthesis is attracting considerable research attention due to their specific catalytic …

Halogen bonding is commonly found with iodine-containing molecules, and it arises when
Lewis bases interact with iodine's σ-holes. Halogen bonding and σ-holes have been …

We have computed the most positive and most negative values of the electrostatic potentials
on the surfaces of a series of molecules, some of which contain atoms from the second and …

The natural DNA double helix consists of two strands of nucleotides that are held together by
multiple hydrogen bonds. Here we propose to build an artificial double helix from fragments …

The synthesized hydrogen bonded charge transfer (CT) complex between 2-amino-4-
methylthiazole (AMT) and chloranilic acid (CLA) was characterized using various spectral …