更新1: [△Hf/kJmol-1: BaO(s): -997.5; BaCO3(s): -1218.8; CO2(g): -393.5; C2H4(g): +52.3; C2H6(g): -84.6; C2H5Br(l): -92.0; C2H5OH(l): -277.7; HBr(g): -36.2; H2O(l): -285.9; H2SO4(l): -814.0; MgCl2(s): -641.8; TiCl4(l): -...
The E el values are recalculated into the bond breaking enthalpy D 0 (Ge鈥揙) and formation enthalpy 螖 f H 298 0 of ethane, and calculation errors for E el are obtained at the variation limit. The ADF program settings are chosen so that they make it possible to attribute these E el...