Assessment of the Performance of the M05-2X and M06-2X Exchange-Correlation Functionals for Noncovalent Interactions in Biomolecules.

By E. Hohenstein, S. Chill, C. Sherrill. Journal of Chemical Theory and Computation, 2008

786 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Organic Chemistry, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/33d1c466bcf78d96574c8b4c59ef463ff4d3dab0