A fast and efficient method is presented that recovers a three-dimensional cylindrically
symmetric probability distribution from its two-dimensional projection onto a plane parallel to …

This introduction provides a historical context for the development of ion spectroscopy over
the past half century by following the evolution of experimental methods to the present state …

Quantum chemistry and electronic structure theory have played a crucial role in the
detection of molecules in space largely since molecules have been detected in space. In the …

Bismuth boride is a heavy member of the III-V semiconductors. Although there have been
some theoretical interests in this material, it has not been synthesized experimentally. Here …

Few anions exhibit electronically excited states, and, if they do, the one or two possible
excitations typically transpire beyond the visible spectrum into the near-infrared. These few …

A dipolar molecule can weakly bind an electron in a diffuse orbital. However, the spin–orbit
coupling between this weakly bound electron and the electrons in the molecular core is not …

Of the dicyanomine anion (NCNCN−), cyanoethynylamine anion (NCNC 2 H−), and
diethynylamine anion (HC 2 NC 2 H−), only the mixed, C s NCNC 2 H− anion has are large …

Deprotonated azabenzene anions require dipole moments in their corresponding neutral
radicals of more than 3.5 D in order to exhibit dipole-bound excited states (DBXSs). This is …

This paper reports the computational study of phosphorus-doped boron clusters PBn/PB n–
/PB n+(n= 4–8). First, a global search and optimization of these clusters were performed to …

Explicitly correlated MRCI-f12 calculations have been carried out for the CCP and CCAs
radicals with systematic sequences of correlation consistent basis sets to determine the …