Brittain, DavidLin, Ching-YehGilbert, AndrewIzgorodina, EkaterinaGill, PeterCoote, Michelle2015-12-101463-9076http://hdl.handle.net/1885/55582Serious (up to 87 kJ mol-1) systematic DFT errors in a series of isodesmic reactions are found to be due to the DFT exchange component, and can be largely corrected by substitution of the DFT exchange energy with the Fock exchange energy.Keywords: article; chemical model; computer simulation; methodology; organic chemistry; quantum theory; Chemistry, Organic; Computer Simulation; Models, Chemical; Quantum Theory200910.1039/b818412g2016-02-24