Piotr Skurski

TL;DR: In this paper, the authors carried out ab initio electronic structure calculations on a portion of DNA, the results of which provide support for a mechanism that produces single-strand breaks (SSBs) with low-energy electrons.

TL;DR: In this paper, a Franck−Condon simulation of the neutral oxygen states was performed to determine the potential energy curves of O2 and O2- in its ground state and two excited states, in both the electronically bound and unbound regions.

TL;DR: The findings of the present work suggest that, while DNA bases can attach electrons having kinetic energies in the 1 eV range and subsequently undergo phosphate-sugar O-C sigma bond cleavage, it is highly unlikely (in contrast to recent suggestions) that electronsHaving kinetic energies near 0 eV can attach to the phosphate unit's P=O bonds.

TL;DR: High-level electronic structure calculations on the dipole-bound anion states of CH 3CN, C 3H 2, and C 5H 2 reveal that for these species a large fraction of the electron binding energy derives from the dispersion-type interaction between the loosely bound electron and the neutral molecule.

TL;DR: The results presented here seem to offer good insight into one aspect of the ECD process, and they provide a means by which one can estimate which bonds may be susceptible to cleavage by low-energy electron attachment.