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

Authors: Yan Zhao, Donald G. Truhlar

Year: 2007

ThermochemistryDensity functional theoryValence (chemistry)Excited stateHybrid functional

29,478
Citations
2007
Published
2
Authors
Read PDFDOI