Sentence examples for been performed using density from inspiring English sources

Quantum chemical calculations of the studied systems have been performed using density functional theory (DFT) methods.

Theoretical studies have been performed using density functional theory (DFT) to support the order of oxidation rates.

Quantum chemical calculations have been performed using Density Functional Theory (DFT) in order to gain some insight about the coordination behavior of dpdapt and complex 1.

All calculations were performed using density functional theory and the plane-wave projector augmented-wave65 method as implemented in the VASP code66.

The calculations were performed using density functional theory (DFT) at rB3LYP/6-31G d rB3LYP/6-31G deory for 1-substituted Pyrene derivatives.

The quantum mechanics calculations are performed using density functional theory (DFT) at the B3LYP/6-311 + + G d,p) level.

Geometries, electronic structure and electronic absorption spectra of thiophene based dye-sensitized solar cells were performed using Density Functional Theory (DFT) and time dependent density functional theory (TD-DFT).

All calculations, including optimizations, charge analysis and 15NNitro NMR chemical shifts, were performed using density functional (DFT) methods with a 6-311+G d 6-311+G dset.

Theoretical calculations were performed using density functional theory (DFT) for studying the molecular structure, vibrational spectra and optical properties of the investigated molecule in the ground state.

All calculations, including optimizations, charge analysis and 15NNitro NMR chemical shifts, were performed using density functional (DFT) methods with 6-311+G d 6-311+G dset.

Theoretical calculations were performed using density functional theory (DFT) for studying the molecular structure, vibrational spectra and non-linear optical (NLO) properties of the investigated molecule in the ground state.