Newton-X is an open-source computational platform to perform nonadiabatic molecular
dynamics based on surface hopping and spectrum simulations using the nuclear ensemble …

Much effort has been devoted to describing qualitatively and quantitatively electron
scattering processes due to their ever-increasing importance in many industrial and medical …

We provide an experimentalist's perspective on the present state-of-the-art in the studies of
low-energy electron interactions with common radiosensitizers, including compounds used …

5-trifluoromethanesulfonyl-uracil (OTfU), a recently proposed radiosensitizer, is
decomposed in the gas-phase by attachment of low-energy electrons. OTfU is a derivative of …

We investigate dissociative electron attachment to 5-fluorouracil (5-FU) employing a crossed
electron-molecular beam experiment and quantum chemical calculations. Upon the …

Despite the continuous development of theoretical methodologies for describing
nonadiabatic dynamics of molecular systems, there is a lack of approaches for processes …

When modified uridine derivatives are incorporated into DNA, radical species may form that
cause DNA damage. This category of molecules has been proposed as radiosensitizers and …

The efficient decomposition of nitroimidazoles (NIs) by low energy electrons is believed to
underlie their radiosensitizing properties. Recent dissociative electron attachment (DEA) …

The fragmentation of the isolated 5-bromouracil (5BrU) molecule and pure and nano-
hydrated 5BrU clusters induced by low energy 12C4+ ions has been studied. A comparison …

Electron induced dissociation reactions are relevant to many fields, ranging from prebiotic
chemistry to cancer treatments. However, the simulation of dissociation electron attachment …