Dybala-Defratyka, Agnieszka; Paneth, Piotr; Truhlar, Donald G.; Dybala-Defratyka Agnieszka; Institute of Applied Radiation Chemistry, Technical University of Lodz; Paneth Piotr; Institute of Applied Radiation Chemistry, Technical University of Lodz; Truhlar Donald G.; Department of Chemistry and Supercomputing Institute, University of Minnesota