Hydrogen bonds (HBs) play a crucial role in many physicochemical and biological
processes. Theoretical methods can reliably estimate the intermolecular HB energies …

The noncovalent interactions (NCIs) are omnipresent in chemistry, physics, and biology. The
study of such interactions offers insights into various physicochemical phenomena. Some …

No direct method for estimating the individual O–H··· O hydrogen bond (H-bond) energies in
water clusters (W n) exists in the literature. In this work, we propose such a direct method …

The detection of spectroscopically silent metal ions is challenging due to their electronic
configuration (d10). A practical approach to overcome this issue is the use of complex-based …

The energies of the O− H∙∙∙ O= C intramolecular hydrogen bonds were compared
quantitatively for the series of ortho-disubstituted benzenes and Z-isomers of olefins via a …

Manipulation of the energy profile of a chemical reaction plays a crucial role in modulating
its progress and selectivities. Porphodimethene and phlorin are two key isoelectronic …

Both the experimental and calculated data reveal that a strong N H⋯ O С intramolecular
hydrogen bond closing the seven‐membered quasi‐cycle is formed in the Z‐isomers of …

Two novel coumarin‐based Schiff‐base chemosensors are presented. Courtesy to an
extended conjugation between the coumarin ring and the attached π‐containing groups …

Intramolecular hydrogen bond (IHB) interactions have investigated in aza-boron-hydrogen
rings after formation of dihydrogen bond (DHB) interactions with some substituted aza-boron …

The presence of syn and anti-conformers in tetramethyl substituted meta-
benziporphodimethenes has been well studied. Herein, we report a new sterically hindered …