Vibrational frequency scale factors for density functional theory and the polarization consistent basis sets

ML Laury, MJ Carlson, AK Wilson - Journal of computational …, 2012 - Wiley Online Library
Calculated harmonic vibrational frequencies systematically deviate from experimental
vibrational frequencies. The observed deviation can be corrected by applying a scale factor …
被引用次数：252 相关文章

Vibrational frequency scale factors for density functional theory and the polarization consistent basis sets.

ML Laury, MJ Carlson, AK Wilson - Journal of Computational …, 2012 - europepmc.org
Calculated harmonic vibrational frequencies systematically deviate from experimental
vibrational frequencies. The observed deviation can be corrected by applying a scale factor …

Vibrational frequency scale factors for density functional theory and the polarization consistent basis sets

ML Laury, MJ Carlson, AK Wilson - Journal of Computational Chemistry, 2012 - infona.pl
Calculated harmonic vibrational frequencies systematically deviate from experimental
vibrational frequencies. The observed deviation can be corrected by applying a scale factor …

Vibrational frequency scale factors for density functional theory and the polarization consistent basis sets

ML Laury, MJ Carlson, AK Wilson - Journal of Computational Chemistry, 2012 - cir.nii.ac.jp
抄録< jats: title> Abstract</jats: title>< jats: p> Calculated harmonic vibrational frequencies
systematically deviate from experimental vibrational frequencies. The observed deviation …

Vibrational frequency scale factors for density functional theory and the polarization consistent basis sets

ML Laury, MJ Carlson… - Journal of …, 2012 - pubmed.ncbi.nlm.nih.gov
Calculated harmonic vibrational frequencies systematically deviate from experimental
vibrational frequencies. The observed deviation can be corrected by applying a scale factor …