Quantum chemical calculations for over 200,000 organic radical species and 40,000 associated closed-shell molecules
Quantum chemical calculations for over 200,000 organic radical species and 40,000 associated closed-shell molecules, Peter St. John†, Yanfei Guan, Yeonjoon Kim, Brian D. Etz, Seonah Kim†, Robert S. Paton†, Scientific Data, 7, 244 (2020).