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 …

Pnicogen, chalcogen, and halogen atoms have been shown previously to have some
elements in common with H-bonds, including charge transfer into a σ∗ antibonding orbital …

In this work we highlight recent work aimed at the characterization of halogen bonds. Here
we discuss the origins of the σ-hole, the modulation of halogen bond strength by changing of …

Previous work has documented the ability of the P atom to form a direct attractive
noncovalent interaction with a N atom, based in large measure on the charge transfer from …

Whereas CH⋯ O H-bonds are usually weaker than interpeptide NH⋯ O H-bonds, this is not
necessarily the case within proteins. The nominally weaker CH⋯ O are surprisingly strong …

Cl, S, and P atoms have previously been shown as capable of engaging in a noncovalent
bond with the N atom on another molecule. The effects of substituents B on the former atoms …

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 …

We analyze the interplay between pnicogen‐bonding and halogen‐bonding interactions in
the XCl FH2P NH3 (X= F, OH, CN, NC, and FCC) complex at the MP2/aug‐cc‐pVTZ …

In addition to a structure with a PH⋅⋅⋅ N H-bond, a second complex of greater stability is
formed when the PH 3 is rotated such that its PH bond is pointing away from the …

Previous work has documented the ability of the P atom to form a direct attractive
noncovalent interaction with a N atom, based in large measure on the charge transfer from …