Sentence examples for electronic structures and from inspiring English sources

The molecular electronic structures and electron densities around these functional groups are the key structural features that determine the effectiveness of inhibition[10, 11, 12].

Compared with the results given here, negligible changes are obtained for both structural and electronic structures and difference between the total energies is less than 0.03%%.

The bonding properties, electronic structures and orbital populations of structurally different oxygens were obtained.

Electronic structures and vibrational modes are calculated employing DFT.

Defects modulation usually has great influence on the electronic structures and activities of photocatalysts.

The electronic structures and energy levels were calculated using the B3LYP/6-31G B3LYP/6-31Gt.

Theoretical calculations were performed to investigate their electronic structures and rationalize the photophysical and electrochemical behaviors.

Electronic structures and absorption spectra were also calculated using the GGA+U method.

The aggregation has obvious effects on electronic structures and absorption spectra of the organic sensitizers.

Very recently, Zhou et al.15 reported the nanosize effect of single perovskite cobaltite on their electronic structures and found the existence of surface spin-state transitions.

Their electronic structures and the finding that some of them do indeed form compounds has led to the more appropriate designation, Group 18.