Sentence examples for functional with a from inspiring English sources

The harmonic vibrational frequencies for spectroscopic analysis (for FT-IR and Raman spectra) were carried out with DFT using a B3LYP hybrid functional with a Quadruple Zeta Valence plus Polarisation function (QZVP) basis set.

For a more accurate analysis and due to the lack of reliable and reproducible references, the identification of intermediate products 5 and 9 was supported by DFT using a B3LYP hybrid functional with a Quadruple Zeta Valence plus Polarisation function (QZVP) basis set.

It's functional, with a nice burst of green from a selection of architectural succulents.

And it is functional, with a holster for a water bottle.

The place is comfortable and functional with a loft aesthetic of open, flexible space, with pictures propped on broad shelves rather than hanging in gilded frames.

Its boldness is no surprise, but, in addition, it is laudably functional, with a clear layout, handsome and logically designed galleries, and a suffusion of natural light.

The interior is functional with an 8.4-inch Uconnect touch screen that is easy to use.

The dual method is employed to minimize the convex energy functional with an extra regularization term (weighted TV norm).

The results show that LC-ωPBE xc functional with an optimized parameter provided better correlation with the experimental results compared to the other functionals.

Three SNPs were selected as likely to be functional, with an estimated false discovery rate (FDR) <25%.

Thus, we cannot exclude the possibility that AtHDA10 and AtHDA17 may interact and be functional with an active histone deacetylase.