Which DFT Functional Performs Well in the Calculation of Methylcobalamin? Comparison of the B3LYP and BP86 Functionals and Evaluation of the Impact of Empirical Dispersion Correction (Q51543517)
Jump to navigation
Jump to search
scientific article published on August 2, 2011
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Which DFT Functional Performs Well in the Calculation of Methylcobalamin? Comparison of the B3LYP and BP86 Functionals and Evaluation of the Impact of Empirical Dispersion Correction |
scientific article published on August 2, 2011 |
Statements
Which DFT functional performs well in the calculation of methylcobalamin? Comparison of the B3LYP and BP86 functionals and evaluation of the impact of empirical dispersion correction (English)
1 reference
Which DFT Functional Performs Well in the Calculation of Methylcobalamin? Comparison of the B3LYP and BP86 Functionals and Evaluation of the Impact of Empirical Dispersion Correction (English)
1 reference
Hajime Hirao
1 reference
2 August 2011
1 reference
115
1 reference
33
1 reference
9308-9313
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference
1 reference