Sentence examples for calculated geometry from inspiring English sources

The calculated geometry, infrared spectrum, and UV vis spectrum in the ground state are consistent with the experimental results.

The last Frenchman to appear amid such calculated geometry was Jean-Michel Jarre, when he gave his "Twelve Dreams of the Sun" concert at the Pyramids of Giza, on the eve of the millennium, and there was a deeply troubling moment, on Sunday, when one feared that Macron might suddenly whip out a bank of synthesizers and give us three solid hours of progressive electro-pop.

DFT calculations results from different basis sets were compared, and results show that the optimized calculated geometry is relatively consistent with the X-ray data and hence the observed structure for the complex is indeed possible.

Comparison of the calculated geometry of the TOH conformers with that detected by the X-ray diffraction method shows that the fourth as to the energy conformer is present in the solid state.

The calculated geometry for 3, was obtained with HF, B3LYP, PBE1PBE, TPSS, M05-2X, M06-2X and 6-311++G d 6-311++G dof theory.

Table 1 shows the M06/LACVP* calculated geometries for the Cd[(C6H5 2PSSe]2 and Cd[( i Pr 2PSSe]2 precursors.

[18] For all the species considered we have calculated geometries at the second order of Møller-Plesset perturbation theory[19] (MP2) using the polarized SBK basis set.

The observed geometries agreed with density functional theory calculations, and bond valences were calculated for the two methoxybenzene C−O bonds using the theoretically calculated geometries.

Since we can calculate geometry properties of shadows, we can generate specific shape templates according to different timing and locations.

5) To calculate geometry of the probable protease, glycolysis pathway enzyme, or metal binding motif residues PAR-3D (http://sunserver.cdfd.org.in:8080/protease/PAR_3D/access.html) was used, though none was identified [33].

The calculated coil geometry can be manufactured easily using standard computerized numeric control equipment, which keeps the costs low.