![Complete active space second order perturbation theory (CASPT2) study of N(2D) + H2O reaction paths on D1 and D0 potential energy surfaces: Direct and roaming pathways]()
Complete active space second order perturbation theory (CASPT2) study of N(2D) + H2O reaction paths on D1 and D0 potential energy surfaces: Direct and roaming pathwaysIsegawa, Miho; Liu, Fengyi; Maeda, Satoshi; Morokuma, Keiji · The Journal of Chemical Physics · 2014