Nature of frontier quasi-particle states in nitrogen-base systems
Abstract
, 211501] to analyze the electron-attached and ionized QP states of these DNA components, with a particular focus on dipole- and multipole-trapped empty states (bound or resonances). We also evaluate critical properties such as dipole and quadrupole moments, QP HOMO-LUMO energy gaps, and transition-dipole moments. Finally, we classify the Watson-Crick stacked dimers based on their QP nature. This classification provides the foundation for proposing a model of DNA reactivity and photo-physical activity.
Fields of Study & Subjects
DNA and Nucleic Acid Chemistry
Fullerene Chemistry and Applications
Photochromic and Fluorescence Chemistry
Publication details
- Journal / source
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 28
- Issue
- 5
- Pages
- 3336–3351
- Publication date
- 1 January 2026
- Language
- EN