Sentence examples for functional in conjunction from inspiring English sources

The dynamic Reissner functional in conjunction with variational calculus has been employed to derive the equations of motion of pretwisted cantilever blades of asymmetric aerofoil cross section.

The geometries were full optimized using the hybrid B3LYP functional in conjunction with the 6-31+G d,p) basis set [22].

The bond dissociation energy via the rate constant k 1 and the bond formation energy via rate constant k 2 (scheme 1) were estimated using the density functional theory framework at the B3LYP energy functional in conjunction with 6-31G baset set.

However, these elements are only fully functional in conjunction with the core motif CATGCATG of the legumin box present around position −95.

It is also easy to imagine a service that enumerates pharmacologically active functional groups working in conjunction with QSAR descriptor computing services to logically select compounds that are predicted to be drug-like and non-toxic, out of a large collection of combinatorially-generated chemical entities.

The structure of the resulting conformer was then optimized with the M06, M06L, M06-2X and M06-HF density functionals in conjunction with the MIDIY basis set.

To overcome the limitation of the HF approximation, Becke reported a work on density functional thermochemistry in 1993 in which he used DFT coupled with gradient-corrected exchange functional (B88) in conjunction with the Lee-Yang-Parr gradient-corrected correlation functionals (LYP) [19, 24].

The near edge X-ray absorption fine structure (NEXAFS) of amino acids and proteins is studied with time-dependent density functional theory in conjunction with a short-range corrected exchange correlation functional designed for core-excited states.

Utilizing first principles quantum mechanical calculations with density functional theory in conjunction with Green's function formalism, transmission spectra of graphene metal contacts and the voltage-dependent variations of the current and the resistance are obtained.

Density functional theory in conjunction with non-equilibrium Green's function formalism is utilized to simulate metallic (5, 5) and (8, 8) SiNTs in order to obtain their current voltage characteristics.

The patterns in nucleotide sequences are biologically functional only in conjunction with the organization (e.g., consider the function of a regulatory gene).