Size-dependent order–disorder crossover in hydrophobic hydration: Comparison between spherical solutes and linear alcohols
V Hande, S Chakrabarty - ACS omega, 2022 - ACS Publications
Theory and computer simulation studies have predicted that water molecules around
hydrophobic molecules should undergo an order–disorder transition with increasing solute …
hydrophobic molecules should undergo an order–disorder transition with increasing solute …
Laterally Heterogeneous Structure and Dynamics of Water and Ion inside a Nanochannel of a Covalent Organic Framework Membrane Designed for Osmotic Energy …
GR Khan, S Daschakraborty - The Journal of Physical Chemistry …, 2024 - ACS Publications
Covalent organic framework (COF)-based membranes show great promise in the realm of
osmotic energy conversion (OEC). Despite their great potential, the understanding of the …
osmotic energy conversion (OEC). Despite their great potential, the understanding of the …
Structure and rotational dynamics of water around hydrogen peroxide
A Priyadarsini, BS Mallik - Journal of Molecular Liquids, 2022 - Elsevier
The density functional theory-based molecular dynamics simulations were induced to study
various properties of water around different solvation pockets around hydrogen peroxide (H …
various properties of water around different solvation pockets around hydrogen peroxide (H …