Sentence examples for been studied using density from inspiring English sources

The graphene grain boundaries with periodic length up to 18 Å have been studied using density functional theory.

The structural, electronic and vibrational properties of graphene oxide (GO) with varying proportion of epoxy and hydroxyl functional groups have been studied using density functional theory.

Reactivity of single-vacancy defective graphene (DG) and DG-supported Pdn and Agn (n = 1, 13) for mercury (Hg0) adsorption has been studied using density functional theory calculation.

Geometric and electronic structures, band gap, thermodynamic properties, crystal density, and detonation properties have been studied using density functional theory (DFT) at the B3LYP/aug-cc-pVDZ level.

The structure, stability and bonding pattern of the Fe(NHE 2 complexes (where E = B, Al and Ga) have been studied using density functional theory.

The interaction of cyanogen molecule with Al12N12 nanocage has been studied using density functional theory (DFT) at CAM-B3LYP/6-31+G CAM-B3LYP/6-31+G CAM-B3LYP/6-31+G

The mechanism of water gas shift reaction (WGSR CO ++ H2O → CO2 + H2) catalyzed by nanosized single-atom core shell clusters have been studied using density-functional theory (DFT) calculations.

Low-index surfaces and morphologies of cobalt spinel (Co3O4) are studied using density functional theory calculations.

Lithium ion dynamics in crystalline lithium silicide Li12Si7 were studied using density functional theory.

The effects of substitution on the sumanene CH2 groups with hetero groups are studied using density functional theory computations.

The spectroscopic properties and charge transfer (CT) characters were studied using density functional theory (DFT) and time-dependent DFT methods.