A hydrogen bond for a local-minimum-energy structure can be identified according to the
definition of the International Union of Pure and Applied Chemistry (IUPAC recommendation …

Atoms in Molecules (AIM) theory is routinely used to assess hydrogen bond formation;
however its stringent criteria controversially exclude some systems that otherwise appear to …

Vapor phase OH-stretching overtone spectra of ethylene glycol were recorded to investigate
weak intramolecular hydrogen bonding. The spectra were recorded with conventional …

We present high-level ab initio calculations for representative group of molecules
possessing the intramolecular interaction of the X··· O type (X= F, Cl, Br, and I). Few …

The molecular structure and hydrogen bonding of ethylene glycol (EG) and EG–water
mixtures in the liquid phase were studied by using near-infrared (NIR) spectroscopy. The …

The conformational preferences of two model compounds for the O CH2 O anomeric unit:
methanediol and dimethoxymethane analyzed within the framework of the QTAIM theory …

In this paper, the intermolecular structural study asserted by the vibrational analysis in the
stretch frequencies of hydrogen bonds (π⋯ H) and dihydrogen bonds (H− δ⋯ H+ δ) have …

The gas-phase infrared spectra of 1, 2-ED and 1, 4-BD have been recorded at three different
temperatures using a multipass gas cell of 6 m optical path length. DFT calculation has also …

Nine kinds of inter-and intramolecular interactions were investigated by exploring the
topology of electron density in the interatomic regions using standard protocols of QTAIM …

Vapor-phase OH-stretching overtone spectra of 1, 3-propanediol and 1, 4-butanediol were
recorded and compared to the spectra of ethylene glycol to investigate the effect of …