The present work is devoted to the local atomic and electronic structure of
dimetacyano (DMC) molecules deposited on a Bi (111) substrate before and after
irradiation by X-rays and UV light using density functional theory (DFT) and a
theoretical analysis of the X-ray absorption near edge tructure (XANES)
spectroscopy. As a result of the calculations the low-energy structure for DMC
zobenzene molecules on a Bi (111) substrate was obtained.1\. Auflag