peracid expoxidation of propene, Def2-TZVPPD/DCM/M062X IRC - Henry Rzepa (Imperial College London, 2018)
Gaussian Calculation
Keywords: InChI=1S/C3H6.C2H3O2.HO/c1-3-2;1-2(3)4;/h3H,1H2,2H3;1H3;1H; InChI=1S/C3H6O.C2H4O2/c1-3-2-4-3;1-2(3)4/h3H,2H2,1H3;1H3,(H,3,4)/t3-;/m1./s1; MIOGMIRMITWRQV-UHFFFAOYSA-N; NEJQEIMTVCPOMA-AENDTGMFSA-N