The dihydrogen bond an interaction between a transition-metal or main-group hydride (M
H) and a protic hydrogen moiety (H X) is arguably the most intriguing type of hydrogen …

Quantum chemistry can uniquely answer astrochemical questions that no other technique
can provide. Computations can be parallelized, automated, and left to run continuously …

Small, inorganic hydrides are likely hiding in plain sight, waiting to be detected toward
various astronomical objects. AlH2OH can form in the gas phase via a downhill pathway …

The reaction of water molecules with alane (AlH3) or magnesium hydride (MgH2) ultimately
produces metal oxide clusters with surrounding hydrogen atoms. This quantum chemical …

The unified reaction valley approach combined with the local vibrational mode and ring
puckering analysis is applied to investigate the hydrogen evolution from water in the …

Despite recent advancements in the chemistry of multiply bound boron compounds, the
laboratory isolation of the parent oxoborane moiety, HBO has long remained an unsolved …

This work provides the first full set of vibrational and rotational spectral data needed to aid in
the detection of AlH3OH2, SiH3OH (silanol), and SiH3NH2 (silylamine) in astrophysical or …

Hydrochloric acid (HCl solution) can reduce the thermal stability of alpha-aluminum hydride
(α-AlH 3). Thermal analysis suggested that, as the acid content of α-AlH 3-HCl solution …

Aluminum forms strong bonds to oxygen, nitrogen, and hydrogen, but these motifs are
relatively rare in the interstellar medium (ISM). However, no chemical rationale accounts for …

Water can significantly enhance the thermal spontaneous combustion and explosion hazard
of alpha-aluminum hydride (α-AlH 3). Thermal analysis suggested that, as the water content …