W3 theory: robust computational thermochemistry in the kJ/mol accuracy range

A. Daniel Boese, Mikhal Oren, Onur Atasoylu +3

We are proposing a new computational thermochemistry protocol denoted W3 theory, as a successor to W1 and W2 theory proposed earlier [Martin and De Oliveira, J. Chem. Phys. 111, 18…