New Scale Factors for Harmonic Vibrational Frequencies Using the B3LYP Density Functional Method with the Triple-ζ Basis Set 6-311+G(d,p)
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- M. P. Andersson
- Chemical Physics, Department of Chemistry, Lund University, P.O. Box 124, S-22100 Lund, Sweden
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- P. Uvdal
- Chemical Physics, Department of Chemistry, Lund University, P.O. Box 124, S-22100 Lund, Sweden
収録刊行物
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- The Journal of Physical Chemistry A
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The Journal of Physical Chemistry A 109 (12), 2937-2941, 2005-03-01
American Chemical Society (ACS)