Theory and Simulations Group
Universitat de Girona
Girona, EspañaPublications in collaboration with researchers from Universitat de Girona (1)
2012
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Performance of PNOF5 natural orbital functional for radical formation reactions: Hydrogen atom abstraction and C-C and O-O homolytic bond cleavage in selected molecules
Journal of Chemical Theory and Computation, Vol. 8, Núm. 8, pp. 2646-2652