This review covers the work of the three decades since the first spectroscopic identification
of the H 3+ molecular ion outside of the laboratory in 1988, in the auroral atmosphere of the …

In this review, the origins of astrochemistry and the initial applications of quantum chemistry
to the discovery of new molecules in space are discussed. Furthermore, more recent …

In what has been described as the fourth age of quantum chemistry, variational nuclear
motion programs are now routinely being used to obtain the vibration-rotation levels and …

This review summarizes experimental activities to study the structure of molecular ions via
He tagging. The method is based on the attachment of a weakly bound helium atom to a …

H 3+⁠. The underlying Born–Oppenheimer electronic structure computations used
optimized explicitly correlated shifted Gaussian functions. The surfaces include diagonal …

Geometric energy derivatives which rely on core-corrected focal-point energies extrapolated
to the complete basis set (CBS) limit of coupled cluster theory with iterative and noniterative …

On the basis of both experiment and theory, accurate rotational–vibrational line positions
and energy levels, with associated critically reviewed labels and uncertainties, are reported …

Complexes of the triatomic hydrogen ion with helium were synthesised in a low-temperature
22-pole rf ion trap at He number densities of up to 1016 cm− 3. Absolute ternary rate …

The discovery of ArH+ in the interstellar medium has shown that noble gas chemistry may be
of more chemical significance than previously believed. The present work extends the …

Full dimensional analytical fits of the coupled potential energy surfaces for the three lower
singlet and triplet adiabatic states of H+ 3 are developed, providing analytic derivatives and …