Structures and Spectroscopic Characteristics of 5,6-Dihydro-6-thymyl and 5,6-Dihydro-5-thymyl Radicals by an Integrated Quantum Mechanical Approach Including Electronic, Vibrational, and Solvent Effects

A recently developed quantum mechanical approach devoted to the study of unstable species in solution was applied to isomeric radicals resulting from the addition of hydrogen atoms to thymine. The ...