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

The Journal of Physical Chemistry A, 2005 - ACS Publications
We have calculated optimal frequency scaling factors for the B3LYP/6-311+ G (d, p) method
for fundamental vibrational frequencies on the basis of a set of 125 molecules. Using the …
被引用次数：1682 相关文章

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

MP Andersson, P Uvdal - … Journal of Physical Chemistry Part A …, 2005 - portal.research.lu.se
We have calculated optimal frequency scaling factors for the B3LYP/6-311+ G (d, p) method
for fundamental vibrational frequencies on the basis of a set of 125 molecules. Using the …

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

MP Andersson, P Uvdal - The journal of physical …, 2005 - pubmed.ncbi.nlm.nih.gov
We have calculated optimal frequency scaling factors for the B3LYP/6-311+ G (d, p) method
for fundamental vibrational frequencies on the basis of a set of 125 molecules. Using the …

[引用][C] New Scale Factors for Harmonic Vibrational Frequencies Using the B3LYP Density Functional Method with the Triple-ζ Basis Set 6-311+ G (d, p)

MP Andersson, P Uvdal - The Journal of Physical Chemistry A, 2005 - cir.nii.ac.jp
New Scale Factors for Harmonic Vibrational Frequencies Using the B3LYP Density Functional
Method with the Triple-ζ Basis Set 6-311+G(d,p) | CiNii Research CiNii 国立情報学研究所 学術 …

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

MP Andersson, P Uvdal - The Journal of Physical Chemistry Part A …, 2005 - lup.lub.lu.se
We have calculated optimal frequency scaling factors for the B3LYP/6-311+ G (d, p) method
for fundamental vibrational frequencies on the basis of a set of 125 molecules. Using the …

[引用][C] New Scale Factors for Harmonic Vibrational Frequencies Using the B3LYP Density Functional Method with the Triple-ζ Basis Set 6-311+ G (d, p)

MP Andersson, P Uvdal - The Journal of Physical Chemistry A, 2005 - infona.pl
New Scale Factors for Harmonic Vibrational Frequencies Using the B3LYP Density Functional
Method with the Triple-ζ Basis Set 6-311+G(d,p) × Close The Infona portal uses cookies, ie …

[引用][C] New Scale Factors for Harmonic Vibrational Frequencies Using the B3LYP Density Functional Method with the Triple-ζ Basis Set 6-311+ G (d, p)

MP Andersson, P Uvdal - Journal of Physical Chemistry A, 2005 - ui.adsabs.harvard.edu
New Scale Factors for Harmonic Vibrational Frequencies Using the B3LYP Density Functional
Method with the Triple-ζ Basis Set 6-311+G(d,p) - NASA/ADS Now on home page ads icon ads …

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

MP Andersson, P Uvdal - The Journal of Physical chemistry. A, 2005 - europepmc.org
We have calculated optimal frequency scaling factors for the B3LYP/6-311+ G (d, p) method
for fundamental vibrational frequencies on the basis of a set of 125 molecules. Using the …

[引用][C] New scale factors for harmonic vibrational frequencies using the B3LYP density functional method with the triple-ζ basis set 6-311+ G (d, p)

MP ANDERSSON, P UVDAL - The Journal of …, 2005 - American Chemical Society