Publications by authors named "Natasa Rohacs"

Importance: The alpha-2 agonist xylazine is increasingly detected as an adulterant in illicitly manufactured fentanyl. There is concern that xylazine may be responsible for an emerging pattern of necrotizing wounds among people who use drugs, but the clinical features of wounds associated with xylazine remain poorly characterized.

Objective: To systematically characterize the location, wound bed surface, and chronicity of wounds among persons with confirmed xylazine exposure.

View Article and Find Full Text PDF

The spectroscopic properties of the ground and first two excited states of the HOSO radical are investigated using the internally contracted multireference configuration interaction method, including the Davidson correction (MRCI+Q) and explicit treatment of the electron correlation (MRCI-F12). The vertical and adiabatic excitation energies are also determined. The results reveal that both the 1 A and 2 A electronic states contain minima in their potential energy surfaces.

View Article and Find Full Text PDF

Using configuration interaction ab initio methods, the evolution of the lowest electronic states of singlet and triplet spin multiplicities of HOSO along the stretching and bending coordinates of is investigated. Equilibrium geometries, rotational constants, and harmonic vibrational frequencies of the lowest electronic states are calculated, i.e.

View Article and Find Full Text PDF