Since its discovery in 1938, superfluidity has been the subject of much investigation
because it provides a unique example of a macroscopic manifestation of quantum …

Context. The global context of making numerous data produced by researchers available
requires collecting and organising the data, assigning meaningful metadata, and presenting …

H2O–H2 is a prototypical five-atom van der Waals system, and the interaction between H2O
and H2 plays an important role in many physical and chemical environments. However …

New, full-dimensional potential energy surfaces (PESs), obtained using precise least-
squares fitting of high-level electronic energy databases, are reported for intrinsic H 2 (H 2 …

Free energy calculations are a crucial part of understanding chemical systems but are often
computationally expensive for all but the simplest of systems. Various enhanced sampling …

The origin and strength of intra-and inter-molecular vibrational coupling is difficult to probe
by direct experimental observations. However, explicitly including or not including some …

The modelling of emission spectra of molecules seen in interstellar clouds requires the
knowledge of collisional rate coefficients. Among the commonly observed species, N2H+ is …

Interactions between molecular hydrogen and ions are of interest in cluster science,
astrochemistry and hydrogen storage. In dynamical simulations, H2 molecules are usually …

We present the equation of state of solid parahydrogen between 0.024 and 0.1 Å− 3 at T=
4.2 K, calculated using path integral Monte Carlo simulations, with ab initio two-body and …

ABSTRACT N2H+ is one of the first molecular ions observed in the interstellar medium and it
is of particular interest to probe the physical conditions of cold molecular clouds. Accurate …