Ph-Stevens, 1,2 with inversion "allowed" UHF TS for C-N bond formation G = -522.799570 - Henry Rzepa (Imperial College London, 2021)
Gaussian Calculation
Keywords: -522.799570; InChI=1S/C7H7.C5H12N/c1-7-5-3-2-4-6-7;1-5(2)6(3)4/h2-6H,1H2;1-4H3; InChI=1S/C12H19N/c1-11(2)13(3,4)10-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3; AGIREAUBRBDKSA-UHFFFAOYSA-N; DEBJOBSQZMRNET-UHFFFAOYSA-N