Herein, the potential of ZO3 and ZF2 aerogen-comprising molecules (where Z= Ar, Kr, and
Xe) to engage in σ-, lp-, and π-hole site-based interactions was comparatively studied using …

For the first time, sigma (σ)-and lone-pair (lp)-hole site-based interactions of SF4 and SeF4
molecules in seesaw geometry with NH3 and FH Lewis bases were herein comparatively …

It is usually expected that formation of a halogen bond (XB) requires that a region of positive
electrostatic potential associated with a σ or π-hole on the Lewis acid will interact with the …

Radical (R•) and R•-hole site-based interactions are comparatively studied, for the first time,
using ab initio methods. In this regard, R•-bearing molecules• XO3 (where X= Cl, Br, and I) …

The effects of Lewis basicity and acidity on σ-hole interactions were investigated using two
sets of carbon-containing complexes. In Set I, the effect of Lewis basicity was studied by …

Unconventional π-hole interactions of tetrel-bearing molecules (TO 2 where T= Ge and Sn)
with multiple CO Lewis bases were investigated and comparatively addressed with the …

σ-Hole and lone-pair (lp)-hole interactions of aerogen oxides with Lewis bases (LB) were
comparatively inspected in terms of quantum mechanics calculations. The ZOn⋯ LB …

Abstract π-Hole interactions of group III-VIII fourth-and fifth-row elements-bearing molecules
in the trigonal planar geometry with NCH Lewis base were comparatively investigated in the …

The effects of Lewis basicity and acidity on σ-hole interactions were investigated using two
sets of carbon-containing complexes. In Set I, the effect of Lewis basicity was studied by …