Extension of the AMBER force field for nitroxide radicals and combined QM/MM/PCM approach to the accurate determination of EPR parameters of DMPOH in solution

Por Hermosilla, Laura, Prampolini, Giacomo, Calle, Paloma, García de la Vega, José Manuel, Brancato, Giuseppe, Barone, Vincenzo
Publicado no J Chem Theory Comput (2013)