Sentence examples for been calculated using density from inspiring English sources

The optimized molecular geometry, frequency and intensity of the IR bands have been calculated using density functional theory (DFT).

Density and viscosity values were obtained by direct experimental measurements, while heat capacities have been calculated using density and speed of sound results previously obtained.

The crystal structures and the electronic properties have been calculated using density functional theory (DFT) within a plane wave pseudopotential framework.

Geometry of two isomers of OsCl2(PH3)2 complex and structures of possible σ complexes (η2-H2 OsCl2(PH3)2, (η2-CH4 OsCl2(Phave have been calculated using density functional theory and MP2-method.

Optical spectra of a pristine SWCNT, SWCNT co-doped with Aluminum (Al) & Phosphorus (P) and another one co-doped with Al, P and Nitrogen (N) have been calculated using density functional theory (DFT .The theory has been implemented using the Cambridge sequential total energy package (CASTEP) code available as a userfriendly module with the software 'Material Studio'.

Dielectric function spectra of a pristine SWCNT and the SWCNT co-doped with Aluminum (Al) & Phosphorus (P) and another one co-doped with Al, P and Nitrogen (N) have been calculated using density functional theory implemented through the Cambridge sequential total energy package (CASTEP).

The lattice constants and elastic constants of the kesterite-type Cu2ZnSnS4 have been calculated using density-functional theory (DFT).

The optimal degree distribution was calculated using density evolution.

The structures and first hyperpolarizabilities of these fullerene derivatives were calculated using density functional theory.

The energy and electronic properties of bulk Ni2P were calculated using density functional theory (DFT) method.

In this work, the graphene/α-SiO2 0001) interface is calculated usingraphene/α-SiO2 0001 theory.