Sentence examples for been computed using density from inspiring English sources
Transport characteristics of the quantum cascade detectors have been computed using density matrix theory.
The structural electronic properties of myricetin (Myc) and six respective radicals such as total electronic energies, bond dissociation enthalpy magnitudes (BDEs), intramolecular H bonds strength and charges density distributions have been computed using density functional theory approach with B3P86 level.
The twin-boundary segregation energies of {10-12}<10-1-1> thesion twins and the solute-diffusion activation enthalpies for various Mg-based binary systems were computed using density functional theory.
Geometrically optimized structures of cyclic and acyclic Pd complexes, which was computed using density functional method was able to explain the low activity of cyclic Pd complex.
Topological and Natural Bond Orbital (NBO) analyses are computed using density functional theory (DFT), and combined with experimental results to propose a reaction pathway for IC abatement.
The overburden stress can be computed using density log data.
The enthalpies at zero Kelvin of metallic elements with several tetrahedrally close-packed (tcp) structures have been computed using electronic density functional theory.
The crystal density has been computed using molecular packing calculations with CVFF force field.
VIPs were computed using Kohn Sham density functional theory (Kohn et al. 1996), whereby hydrogen bonding and stacking interactions between base-pairs (Ribeiro et al. 2011) were modeled by employing the Minnesota M06-2X density functional (Zhao and Truhlar 2008a, b), as implemented in the GAMESS electronic structure package (Schmidt et al. 1993).
A continuous density surface map of traffic volume, which is available as randomly distributed locations from MDOT, was computed using the "Kernel Density" tool.
CoSb2O4 exhibits a direct band gap of 2.89 eV was computed using First-principle density functional theory (DFT) calculations.
