Sentence examples for functional followed from inspiring English sources

Considering all HF and DFT methods with GIAO calculations, TPSS and PBE1PBE were the most accurate methods used for calculation of 1H-NMR and 13C-NMR chemical shifts, which was almost similar to the B3LYP functional, followed in order by HF, M05-2X and M06-2X methods.

The tendency in the GIAO calculations for 1H chemical shifts using DFT methods shows that the best method with an unsigned difference average of 0.225 ppm is the TPSS functional, followed in order of accuracy by B3LYP, PBE1PBE, HF, M05-2X and M06-2X, where all of them present an unsigned difference average below 0.541 ppm.

The algorithm is based on the constrained nonmonotone L2 gradient flow of Ginzburg Landau functional followed by a regularization step, which is resulted from the Tikhonov regularization term added to the objective functional, that lifts the solution from the L2 function space into H1 space.

Functional follow up studies of this locus using small interfering RNA and gene knock-out mice have shed light on the metabolism of low-density lipoproteins, which have important clinical implications for cardiovascular disease.

In the International Visible Trait Genetics Consortium, we identified novel pigmentation genes confirmed by functional follow up [ 187].

The CA1-B3LYP followsnal follows the reference curve up to the distance of 2.3 Å, where a switch from one potential energy surface (Fed−⋅⋅⋅O2) to another occurs (Fed←O2−) that can be interpreted as electron transfer from Fed to O2.

Systematic corrections to the functionals follow directly from the construction procedure.

A formula for the Peetre K-functional follows and is used to show that (L1,D∞) is a uniform Calderón couple with constant of K-divisibility equal to one.

All living patients were invited to complete a functional follow-up assessment at our clinic.

Long-term functional follow-up was achieved in only 6 patients, and ranged from 97 to 167 months.

Moreover, leg length was recorded for every patient and compared with the documentation in their files or measured at the functional follow-up assessment.