We present a detailed overview of classical molecular simulation studies examining the self-
diffusion coefficient of water. The self-diffusion coefficient is directly associated with the …

Mesoporous materials as support for immobilized enzymes have been explored extensively
during the last two decades, primarily not only for biocatalysis applications, but also for …

Using molecular dynamics (MD) simulations, a new approach based on the behavior of
pressurized water out of a nanopore (1.3–2.7 nm) in a flat plate is developed to calculate the …

Heterogeneous nucleation of ice induced by organic materials is of fundamental importance
for climate, biology, and industry. Among organic ice-nucleating surfaces, monolayers of …

We present recent progress in understanding the anomalous behavior of water ice under
mechanical compression, thermal excitation, and molecular undercoordination (with fewer …

Goldschmidt–Pauling contraction of the H–O polar-covalent bond elongates and polarizes
the other noncovalent part of the hydrogen bond (O: H–O), that is, the O: H van der Waals …

The structural symmetry and molecular separation in water and ice remain uncertain. We
present herewith a solution to unifying the density, the structure order and symmetry, the size …

The morphology of liquid–liquid phase separated aerosols has a strong impact on their rate
of gas and water uptake, and the type and rate of heterogeneous reactions in the …

Ammonia is the most abundant reduced nitrogen species in the atmosphere and an
important precursor in the industrial-scale production of nitric acid. A coated-wall flow tube …

Consistency in experimental observations, numerical calculations, and theoretical
predictions have revealed that the skins of water and ice share the same attribute of …