Sentence examples similar to minimized geometry from inspiring English sources

The distance between the two central nitrogen atoms in the energy-minimized geometry of c -P10⋅(T6) 2 is 6.8 Å, which is too far to chelate a metal atom, but molecular modeling shows that these pyridine sites can easily move closer together if the complex adopts a helical twist.

A chemical reaction on the {001} facet is illustrated schematically with energy-minimized geometries for CO-adsorbed and oxygen-deficient surfaces in Figure 1a.

The molecular geometry minimized structures of the EC-HEC and PEC-AVC after static lattice atomistic iterations were modeled as depicted in Figures 15(a)– 15(d), and the respective steric energy values to which they will be responsive are listed in (7).

Coordinates for a ten-residue SKIP peptide (sequence DGGAFPEIHV comprising SKIP residues 60 to 69) were generated by Pepfold [25] and geometry-minimized using the PHENIX package [24].

The results obtained indicate that a pin fin insert in the channel flow considerably improves fuel cell performance and that optimal pin fin geometries exist for minimized pressure drop along the fuel channel for the fuel cell model considered.

A combination of a co-evolutionary particle swarm optimization (CPSO) approach coupled with a differential quadrature (DQ) method is applied to obtain minimized stress and displacement fields through the geometry of the disk.

Minimized - opens the program/folder as minimized in your taskbar.

Further studies on AM1-optimized geometries of PBO showed that the final minimized torsion angle of benzoxazole and phenylene rings increased from 0.04° for the neutral molecule to 18.53° for protonated form at N atom.

Energy minimized structures were further processed taking into account hydrogen atom optimization, correct geometry and stored as Mol2 files in the database.

The minimized booms are the "overpressure minimized" and "front shock minimized" waveforms proposed by Seebass and George.

Through a minimized and necessary assumption of modeling process (e.g., the lumped model of fuel assembly), a geometry model was employed to solve the problem of conjugate heat transfer coupled with thermal radiation.