TY - JOUR AU - Hernández Rodríguez, Javier AU - Gómez Carrasco, Susana Raquel AU - Sanz-Sanz, C. AU - García Jambrina, Pablo PY - 2026 SN - 0021-9606 UR - http://hdl.handle.net/10366/172199 AB - [EN]Certain oxidases and oxygenases catalyze the spin-forbidden incorporation of O2 into organic substrates without requiring a cofactor. A general mechanism for this reaction remains elusive; intriguingly, these enzymes accomplish this without... LA - eng PB - AIP Publishing KW - Intersystem crossing KW - Computational chemistry KW - Quantum scattering KW - Non-adiabatic TI - Quantum scattering pathway of the cofactorless spin-forbidden O2 addition to DPA-CoA DO - 10.1063/5.0335944 T2 - The Journal of Chemical Physics VL - 165 M2 - 024311-1 ER -