It is not a coincidence that both chirality and noncovalent interactions are ubiquitous in
nature and synthetic molecular systems. Noncovalent interactivity between chiral molecules …

Crystal fouling, which refers to the accumulation of precipitates on surfaces and the
associated damage, is a common problem in many industrial processes. In deepwater oil …

Water is considered integral for the stabilization and function of proteins, which has recently
attracted significant attention. However, the microscopic aspects of water ranging up to the …

We employ an all-atom molecular dynamics (MD) simulation framework to unravel water
microstructure and ion properties for cationic [poly (2-(methacryloyloxy) ethyl) …

The poor solubility of nonpolar compounds in water around room temperature is governed
by a large and negative entropy change, whose molecular cause is still debated. Since the …

Normal and heavy water are solvents most commonly used to study the isotope effect. The
isotope effect of a solvent significantly influences the behavior of a single molecule in a …

In liquid water, there is a natural tendency to form aggregates that consist of water molecules
linked by hydrogen bonds. Such spontaneously formed aggregates are surrounded by a …

We resolve a seeming paradox arising from a common misinterpretation of Ben-Naim's
theorem, which rests on the decomposition of the Hamiltonian of a molecular solute/solvent …

The hosting of cyclic and linear aliphatic moieties by cucurbit [7] uril and β-cyclodextrin was
investigated by means of ITC, 2D ROESY NMR spectroscopy, and by classical MD …

Aqueous liquid mixtures play a critical role in many biological and chemical processes.
Solutes including sugars, sugar alcohols, carboxylic acids, alcohols and acetone can affect …