Open‐shell electronic structure is ubiquitous in chemistry and spectroscopy. This chapter
provides a useful guide for navigation through the myriad problems posed by open‐shell …

Photoinduced processes in nucleic acids are phenomena of fundamental interest in diverse
fields, from prebiotic studies, through medical research on carcinogenesis, to the …

Using a nonempirically tuned range-separated DFT approach, we study both the
quasiparticle properties (HOMO–LUMO fundamental gaps) and excitation energies of DNA …

Experimental and theoretical research into excited electronic states of DNA has flourished
during the past decade. The dynamics of excited states in monomeric nucleobases and …

The effect of hydration on the lowest vertical ionization energy (VIE) of phenol and phenolate
solvated in bulk water was characterized using the equation-of-motion ionization potential …

The implementation of the effective fragment potential (EFP) method within the Q-CHEM
electronic structure package is presented. The EFP method is used to study noncovalent π …

The effect of hydration on the vertical ionization energy (VIE) of thymine was characterized
using equation-of-motion ionization potential coupled-cluster (EOM-IP-CCSD) and effective …

Conspectus Radiation damage to DNA is usually considered in terms of UVA and UVB
radiation. These ultraviolet rays, which are part of the solar spectrum, can indeed cause …

Tunable synchrotron radiation provides a universal yet selective scalpel to decipher
molecular information in complex chemical systems when coupled to mass spectrometry …

Oxidative damage to DNA and hole transport between nucleobases in oxidized DNA are
important processes in lesion formation for which surprisingly poor thermodynamic data …