Diatomic dications and dianions are attractive species for quantum chemists and
spectroscopists. In comparison with neutral diatomics, these species show a wealth of …

This review article discusses the recent progress in explaining and understanding the gas-
phase bimolecular reactions of small molecular dications. The article focuses on dication …

A variety of phenomena, of apparently different natures, are described within a unifying
picture, by properly isolating the role of charge/electron transfer as an interaction component …

High level ab initio calculations have been undertaken of potential energy curves of CO
2+(and for the CO neutral ground state). The accuracy of the potentials was tested by a …

We have theoretically investigated the interatomic interaction in the low-lying states of HX2+
dications (X= F, Cl, Br, I) by combining results from semiempirical method with ab initio …

Large calculations are done to investigate the valence and inner-valence electronic states of
aluminum monochloride and its cationic species AlCl+ and AlCl2+, allowing their definite …

The SO2 dication has been known experimentally for a long time. In 1948 SO2 was reported
to have a relative abundance of 0.8% in the mass spectrum of SO2. 1 However …

The double photoionization of HI molecules has been investigated using vacuum ultraviolet
synchrotron radiation in the energy range between 27 and 35 eV⁠. The product ions have …

The potential energy curves of the NS+ electronic states are computed at the aug-cc-
pV5Z/CASSCF/MRCI level of theory. Using these highly correlated wavefunctions, we …

We used an ab initio methodology for the computation of the potential energy curves of the
lowest electronic states of NaS and NaS+ diatomics. Using these highly correlated …