Sentence examples for atoms obtained from from inspiring English sources

Fig. 3 A plot of Muliken atomic charges, on the carbon atoms, obtained from the optimized structure of unbound quinoline.

The black arrows represent the spin direction of the Fe atoms obtained from DFT PBE96 calculations.

He density distributions of droplet sizes ranging from 50 to 10 000 He atoms, obtained from He density functional theory, are mapped onto shifts observed for the HFS constant in the M He diatomic systems as a function of the interatomic distance.

Heating oil ranging from C11 to C21 carbon atoms was obtained from Repsol oil company.

Top-5, top-10, and top-20 models ranked by PPCheck were compared with the already available native pose (in PDB) with respect to (i) root mean square deviation (rmsd) of C-alpha atoms, as obtained from MMalign, 58 and (ii) percentage of common interface residues (pcir) as observed in the native pose.

The functions of the hydrogen atom, as obtained from the solution of the Schroedinger equation for this atom, were used for a long period of time to describe the orbitals of many electrons atoms by giving the many electrons atom orbital functions that are hydrogen-like wave functions.

The final experimental structures for (I) and (II) have the unit cell and non-H-atom positions obtained from the Rietveld refinement, with the CASTEP-optimized positions for the H atoms. Geometry optimizations and solid-state NMR calculations were carried out using CASTEP (Academic Release 6.1; Clark et al., 2005 ▶), via the inter­face within Materials Studio (Accelrys, 2011 ▶).

The supercell program implementation assumes that atoms types (represented by different colors in Fig. 1) are separated into different atom labels obtained from the input cif file.

(c) Probabilities for each atom number obtained from the area of each peak in the multi-Gaussian fit (gray bars) and from a Poisson distribution (red bars) with mean atom number (n=1.23), calculated from the histogram.

The glutathione (GSH, 98%) for analysis was used as a green reducing and stabilizing of silver ions to Ag atoms and was obtained from ACROS Chemical New jersey, USA.

Meanwhile, the sugar was used as a green reducing of silver ions to Ag atoms and was obtained from BDH Chemical Ltd., Poole, UK.