PhIC10 ring closure reactant, Def2-SVPD, SCRF=DCM, G = -909.256969 - Henry Rzepa (Imperial College London, 2021)
Gaussian Calculation
Keywords: -909.256969; InChI=1S/C16H6I/c1-2-3-4-5-6-7-8-12-15-17-16-13-10-9-11-14-16/h9-11,13-14,17H; InChI=1S/C10I.C6H5/c1-2-3-4-5-6-7-8-9-10-11;1-2-4-6-5-3-1/h;1-5H; XJARDXMPUHLNGB-UHFFFAOYSA-N; YIFSJFLGBDZVEP-UHFFFAOYSA-N