Nuclear spin isomers of water molecules, i.e., ortho- and para-H2O, are quantum states of one of the most important molecules. Presently, our understanding of the water isomer properties, especially ...

Zinc dialkyldithiophosphates (ZDDPs) are widely used as antiwear additives in lubricants, forming protective tribofilms that reduce wear and friction in metallic contacts. However, the atomic-scale ...

Binding of xylene isomers to two resorcin[4]arene-based water-soluble cavitands, one fully organic and one with palladium bridges, is investigated by means of a combination of molecular dynamics ...