Sentence examples for atoms are calculated from inspiring English sources

Upon successful reading of atomic coordinates, interatomic distances for all pairs of atoms are calculated, and if this distance is less than 1.2 times the sum of the covalent radii for these atoms, a bond is created.

Ion penetration depths and distributions of scattered atoms are calculated using SRIM Monte Carlo simulation programs.

Going beyond this qualitative argument, the quantitative properties of atoms are calculated by solving the Schrödinger wave equation, which provides the quantum mechanical description of an atom.

The electrostatic interactions between charged carbon atoms are calculated using the Coulomb law.

The continuous matrices of atomic displacements and lattice distortion from face-centered-cubic (fcc) to body-centered-cubic (bcc) phases compatible with the hard-sphere geometry of iron atoms are calculated for different possible final orientation relationships (ORs), such as Bain, Pitsch and Kurdjumov Sachs (KS).

Cross-interactions between unlike atoms are calculated by the Jorgensen combining rules.

For the calculation of EE, the individual energy of TM and S atoms is calculated in the same basis set and is incorporated to find E TM) and E(S).

The energy differential cross sections of primary knock-on atoms were calculated using the NJOY code.

The corresponding probability for oxidation with O atoms was calculated from the known flux of O atoms onto the surface, and was close to 6 × 10− 4.

The interactions between water molecules and carbon atoms were calculated by the Lorentz-Berthelot (LB) rule: Moreover, we set the interaction between the graphene and the substrate by 1/100 smaller than the calculated values by equation (8), to avoid the graphene sticking to the substrate during EC.

With a thermodynamic model based on a Bragg Williams approach, the concentration of Re atoms is calculated as a function of GB character at 1913 K and compared with atom probe experiments.