Research
High-accuracy quantum chemistry for thermochemical and kinetic calculations
… for thermochemical and kinetic calculations par John F. Stanton Quantum Theory Project University of Florida … twenty years ; it is now a relatively routine matter to compute these quantities to an accuracy of about 1 kJ mol-1. … problem posed by the decidedly diabolical HOCO2 radical. Contact pour disposer du lien : …Published on: Mon 31/01/2022 - 11:05