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 …

Solvation is a complex phenomenon involving electrostatic and van der Waals forces as well
as chemically more specific effects such as hydrogen bonding. To disentangle global …

In this work, our recently proposed molecular tailoring approach (MTA)-based method is
employed for the evaluation of individual hydrogen-bond (HB) energies in linear (L) and …

In this work, we propose and test a method, based on the molecular tailoring approach
(MTA), for the evaluation of individual hydrogen bond (HB) energies in ammonia (NH3) n …

There is no general method available for the estimation of individual intermolecular
interaction energies in weakly bound molecular clusters, and such studies are limited only to …

Recently, we have developed and tested a method, based on the molecular tailoring
approach (MTA-based) to directly estimate the individual hydrogen bond (HB) energies in …

In this work, we investigated the strengths of various self-and cross-associating hydrogen
bonds (HBs) in mixed hydrogen fluoride–water cyclic (HF) m (H2O) n (m+ n= 2 to 8) clusters …

Small-molecular clusters of H2S up to tetramer have been experimentally identified in a cold
and solid argon matrix by the spectral assignment of ν S–H fundamental transitions for …

In the present work, the energies of various types of individual HBs observed in neutral
(NH3) m (H2O) n,(m+ n= 2 to 7) clusters were estimated using the molecular tailoring …