Helium nanodroplets have emerged as a new and exciting medium for studying the structure
and dynamics of both this quantum solvent and impurities that can be doped into (onto) and …

A single-electron tetrel bond was predicted and characterized in FXH3⋯ CH3 (X= C, Si, Ge,
and Sn) complexes by performing quantum chemical calculations, where the methyl radical …

A theoretical study of the complexes formed by monosubstituted phosphines (XH2P) and the
methyl radical (CH3) has been carried out by means of MP2 and CCSD (T) computational …

Ab initio, DFT, and AIM theoretical studies on H-, Cl-, and Li-bonded complexes have been
carried out with typical lone pair (H2O), π (C2H4) and σ (H2) bonded pairs, and unpaired …

Do single-electron lithium bonds exist? Prediction and characterization of the H3C⋯Li–Y (⁠Y=H⁠,
F, OH, CN, NC, and CCH) complexes | The Journal of Chemical Physics | AIP Publishing Skip …

Spectroscopic, energetic and structural information obtained by DFT and G3-type
computational studies demonstrates that charged proton donors can form moderately strong …

The spectroscopy of free radicals and of radical containing entrance-channel complexes
embedded in superfluid helium nanodroplets is reviewed. The collection of dopants inside …

The methyl radical (CH3) complexes with hydrogen fluoride (HF) and ethyne (HCCH) are
reported to show the existence of a single-electron hydrogen bond. Their geometrical …

The ability of carbon radicals to act as hydrogen bond acceptors has been evaluated using
ab initio theoretical methods. A hybrid Hartree‐Fock Density Functional Theory based …

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) …