The methodological advances made in recent years have significantly extended the range
and dimensionality of noncovalently bound, hydrogen-bonded and van der Waals …

The study of hexagonal boron nitride (hBN) in microfluidic and nanofluidic applications at
the atomic level requires accurate force field parameters to describe the water-hBN …

We introduce an efficient quantum fully coupled computational scheme within the
multiconfiguration time-dependent Hartree (MCTDH) approach to handle the otherwise …

Water exists in two forms, para and ortho, that have nuclear spin states with different
symmetries. Here we report the conversion of fullerene-encapsulated para water to ortho …

Water, because of its anomalous properties, can exhibit complex behavior under strong
confinement. At room temperature and pressure, water is assumed to exist in a single phase …

An infrared absorption spectroscopy study of the endohedral water molecule in a solid
mixture of H 2 O@ C 60 and C 60 was carried out at liquid helium temperature. From the …

We present a method for efficient calculation of intramolecular vibrational excitations of H 2
O inside C 60, together with the low-energy intermolecular translation-rotation states within …

Systems composed of molecular rotors are promising candidates as quantum devices. In
this work, we employ our recently developed density matrix renormalization group approach …

Sampson's theory for hydrodynamic resistance across a zero-length orifice was developed
over a century ago. Although a powerful theory for entrance/exit resistance in nanopores, it …

Synthesis and characterization of the single crystal of new ternary copper (II) complexes
containing l− arginine of formulae {[Cu (μ− O, O'− NO 3)(l− Arg)(bpy)] NO 3} n (1) and [CuCl …