Review of Theoretical and Computational Studies of Bulk and Single Atom Catalysts for H S Catalytic Conversion.

Catalytic conversion of hydrogen sulfide (H S) plays a vital role in environmental protection and safety production. In this review, recent theoretical advances for catalytic conversion of H S are systemically summarized. Firstly, different mechanisms of catalytic conversion of H S are elucidated.

Correction: Insights into the enhanced Ce[triple bond, length as m-dash]N triple bond in the HCe[triple bond, length as m-dash]N molecule.

Correction for 'Insights into the enhanced Ce[triple bond, length as m-dash]N triple bond in the HCe[triple bond, length as m-dash]N molecule' by Zhen Pu et al., Phys. Chem.

Insights into the enhanced Ce[triple bond, length as m-dash]N triple bond in the HCe[triple bond, length as m-dash]N molecule.

Herein, an experimental study of the vibrational spectra of HCeN was carried out in solid argon, followed by theoretical investigations of molecular structures and the nature of Ce[triple bond, length as m-dash]N bond. The absorption band at 937.7 cm with the 1.

A combined photoelectron spectroscopy and relativistic ab initio studies of the electronic structures of UFO and UFO(-).

The observation of the gaseous UFO(-) anion is reported, which is investigated using photoelectron spectroscopy and relativisitic ab initio calculations. Two strong photoelectron bands are observed at low binding energies due to electron detachment from the U-7sσ orbital. Numerous weak detachment bands are also observed due to the strongly correlated U-5f electrons.