Uncertainties in Scaling Factors for ab Initio Vibrational Frequencies
Article Properties
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LanguageEnglish
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DOI (url)
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Publication Date2005/08/26
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Indian UGC (journal)
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Refrences43
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Citations410
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Karl K. Irikura Physical and Chemical Properties Division and Mathematical and Computational Sciences Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8380
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Russell D. Johnson Physical and Chemical Properties Division and Mathematical and Computational Sciences Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8380
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Raghu N. Kacker Physical and Chemical Properties Division and Mathematical and Computational Sciences Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8380
Journal Categories
Science
Chemistry
Science
Chemistry
Physical and theoretical chemistry
Science
Physics
Atomic physics
Constitution and properties of matter
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Refrences
| Title | Journal | Journal Categories | Citations | Publication Date |
|---|---|---|---|---|
| Mass scaling for vibrational frequencies from ab initio calculations | Chemical Physics Letters |
| 5 | 2005 |
| 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 |
| 1,296 | 2005 |
| Harmonic Vibrational Frequencies: Scaling Factors for HF, B3LYP, and MP2 Methods in Combination with Correlation Consistent Basis Sets | The Journal of Physical Chemistry A |
| 392 | 2004 |
| Uncertainty associated with virtual measurements from computational quantum chemistry models | Metrologia |
| 33 | 2004 |
A priori calculation of molecular properties to chemical accuracy | Journal of Physical Organic Chemistry |
| 189 | 2004 |
Refrences Analysis
The category
Science: Chemistry: Physical and theoretical chemistry 29
is the most frequently represented among the references in this article. It primarily includes studies from The Journal of Chemical Physics and Chemical Physics Letters. The chart below illustrates the number of referenced publications per year.
Refrences used by this article by year
Citations
| Title | Journal | Journal Categories | Citations | Publication Date |
|---|---|---|---|---|
| Silicon, Carbon, Germanium, Aluminum Nitride nanocages (Si60, C60, Ge60, Al30N30) as catalysts of N2 reduction to NH3 | Silicon |
| 2024 | |
Development of a universal method for vibrational analysis of the terminal alkyne C≡C stretch | The Journal of Chemical Physics |
| 2024 | |
Polyaniline grafted pullulan: Optical, thermal, structural, and electrical characterization studies in combination withdensity functional theorycalculations | Journal of Applied Polymer Science |
| 2023 | |
A quantum chemical and kinetics study on the unimolecular reactions of fuel radicals formed during the oxidation of n‐propylamine | International Journal of Quantum Chemistry |
| 1 | 2023 |
| A novel palladium complex with a coumarin-thiosemicarbazone hybrid ligand inhibits Trypanosoma cruzi release from host cells and lowers the parasitemia in vivo | JBIC Journal of Biological Inorganic Chemistry |
| 2023 |
Citations Analysis
The category
Science: Chemistry 345
is the most commonly referenced area in studies that cite this article. The first research to cite this article was titled Prediction of Accurate Anharmonic Experimental Vibrational Frequencies for Water Clusters, (H2O)n, n = 2−5 and was published in 2005. The most recent citation comes from a 2024 study titled Development of a universal method for vibrational analysis of the terminal alkyne C≡C stretch. This article reached its peak citation in 2011, with 34 citations. It has been cited in 138 different journals, 7% of which are open access. Among related journals, the The Journal of Physical Chemistry A cited this research the most, with 45 citations. The chart below illustrates the annual citation trends for this article.