New scale factors for harmonic vibrational frequencies using the B3LYP density functional method with the triple-zeta basis set 6-311+G(d,p).

By M. Andersson, P. Uvdal. Journal of Physical Chemistry A, 2005

1,464 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Electronic, Optical and Magnetic Materials

View Paper: https://www.semanticscholar.org/paper/59ca5033116d93492283566d53b48014fae08bd5