Sentence examples for both orbital analysis and from inspiring English sources

Both orbital analysis and radar performance estimation are performed.

In order to characterize halogen bonds both natural bond orbital analysis and atoms in molecules analysis were performed.

The model is supposed to be implemented as a part of the computer code underlying NASA Goddard's orbital analysis and geophysical parameter estimation package GEODYN and the ephemeris package PMOE 2003 of the Purple Mountain Observatory.

As follows from the group spin densities and orbital analysis for both TSCO,1 structures the FeO group has two unpaired electrons in π* xz and π* yz orbitals and hence corresponds to a triplet iron(IV oxo species.

Natural bonding orbital analysis was performed and the bonding condition of the stable isomers was described.

The method has been tested for orbital analysis of observed explosions and applied to objects, which had a sharp change in their drift rate.

Promisingly, by means of the structural and orbital analysis, CAl4Ga+ is a novel ppC structure though the penta-coordinate ligands of C are not average due to the Al → Ga substitution.

In the last two decades an anomalous variation in the asymptotic velocity of spacecraft performing a flyby manoeuvre around Earth has been discovered through careful Doppler tracking and orbital analysis.

Finally, Mulliken and natural bonding orbital analysis have pointed out that Py oligomers are p-type and donated electron cloud density to TiO2 in all of the nPy-TiO2 composites.

In summary, the results obtained from energy, charges, bond length, and percentage contribution of the chemical fragments to the HOMOs, and molecular orbital analysis supported concerted reaction mechanism for the oxidation of quinoline to 1-hydro-2-oxoquinoline on the in the reductive half-reaction active site of Qor.

Frontier molecular orbital analysis shows that both the molecules have very low HOMO LUMO energy gap, and therefore are kinetically less stable.