Sentence examples for effect of basis from inspiring English sources

Effect of basis set was also studied on the electronic properties of most stable structures considering 6 31 + G** and 6 311 + G* basis sets.

Effect of basis set on the fragmentation energy of clusters is very little, but similar trend is observed for different basis set nevertheless.

Effect of basis set was investigated on the electronic properties of clusters considering 6 31 + G*, 6 31 + G** and 6 311 + G* basis sets.

It has been used in the present work in combination with simple negative factor counting and inverse iteration methods to study the effect of basis set, electron correlation and hydration on the electronic properties and hence the optimum compositions of polyglycine, polyalanine and polyserine in the most conducting protein chain.

The effect of basis set size was explored by calculating B3LYP/6-311+G d,p) single-point energies for the B3LYP/6-31G B3LYP/6-31Ges and yielded energeometriess within 0.1 kcandmol–1 of the B3LyieldedG(d) energy barriers.

We estimated the strength of the multiple-look effect on basis of the reciprocal fit to the successive DLs over the whole accretion range of intervals (nine in Experiments 1 and 2, and five in Experiment 3).

We discuss the effects of basis lead and target lead selections, the differences between interpolated vs extrapolated leads, the database dependency of the coefficients, and the approaches in quantitative performance evaluation, and provide a comparison of different lead systems.

In [P.K. Moore, Effects of basis selection and h-refinement on error estimator reliability and solution efficiency for higher-order methods in three space dimensions, Int. J. Numer. Anal. Mod. 3 (21 51]21–51] a fixed, high-order h-refinement finite element algorithm, Href, was introduced for solving reaction-diffusion equations in three space dimensions.

Binding energies are corrected for the effects of basis set superposition error using the counterpoise method.

We investigated the variants detected in our analysis for their effects on basis of the variant annotation and effect prediction tool SNPEff [ 13] and their distribution across breed and non-breed horses.

For the effect of each basis function, max (0,x−t) is equal to (x−t) when x is greater than t; otherwise the basis function is equal to zero.