Sentence examples for basis sets were utilised from inspiring English sources

Two families of orbital basis sets were utilised within these calculations, the cc-pV nZ-F12 [46] (referred to as V nZ-F12 herein) sets that were specifically designed for use in explicitly correlated calculations, and the aug-cc-pV nZ [47]– [49] (AV nZ herein) sets.

Two PBMC and one synovial fluid mononuclear cell expression data set were utilised (Additional file 2: Table S2).

A cold metal and concrete set is utilised as a mental hospital, a housing estate, and a hellish underworld.

The original basis sets were augmented by a single tight s-type basis function.

The following basis sets were used in the calculations.

The results obtained with the contracted basis sets are compared to the values obtained with our extended basis sets and to the standard 6-311G baset set from literature.

DW basis sets are overcomplete.

For the post-d elements the recently developed cc-pV nZ-F12-PP orbital basis sets [50] matched to small-core relativistic pseudopotentials 51, 52 (PPs) were utilised.

The 6-31G** baset set was used.

The 6 31G** basis set was used.

The DZP (siesta) basis set was used.