Sentence examples for structures calculation from inspiring English sources

The performances of the proposed scheme in terms of band structures accuracy and computational cost saving are demonstrated for a phononic stubbed plate, a case already used in literature as a benchmark for band structures calculation.

Density functional theory methods of electronic structures calculation was used for the study.

The example is particularly challenging because the number of symmetry operations (1536) is really high (the same number of permutations on systems of lower symmetry should be processed faster) (^mathrm{e}) The reported duration corresponds to the calculation of the total number of unique structures calculation.

NOE assignment and structure calculation are often combined together to calculate final structures [34,41 44].

The detailed structural data and NMR statistics for structure calculation are described in Table 2 of the Supporting Information.

Lange, O. & Baker, D. Resolution-adapted recombination of structural features significantly improves sampling in restraint-guided structure calculation.

Güntert, P. Automated NMR structure calculation with CYANA.

The deposited NMR-STAR file consists of chemical shifts, peaks and RDCs used for structure calculation.

First, the structure calculation of free AY1 in solution was attempted.

Guntert, P. & Buchner, L. Combined automated NOE assignment and structure calculation with CYANA.

Güntert, P. & Buchner, L. Combined automated NOE assignment and structure calculation with CYANA.