The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Published Online: 2007-07-12
Journal: Theoretical Chemistry Accounts•Publisher: Springer Science and Business Media LLC
Authors: Donald G. Truhlar•Yan Zhao