Sentence examples for using cluster models of from inspiring English sources

However, Aquino et al. [11] did report O-H bond distances and H-bond distances from their DFT calculations, using cluster models of the (110) α-FeOOH surface.

We have investigated the effects of hydrogen on the electronic structure of diamond doped boron and sulfur using cluster model method within the frame of ab initio density functional theory (DFT).

Fig. 2 shows the scenario of the ANFIS model using cluster radius of 0.1.

In order to distinguish among the clusters we constructed a generalized logit model using cluster as values of the multinomial dependent variable and other behavioral, demographic, program, and attitudinal variables as candidate variables for the construction of the generalized logit model (Hosmer and Lemeshow 2000; McFadden 1974).

The results are aimed at showing the wFReDoW architecture and validating its execution using clusters of snapshots of a specific FFR model against a single ligand.

In the present work, we used a QM/MM and a QM cluster models of TAL to explore two putative reaction paths for its catalytic mechanism.

These studies have been based on the use of ab initio electronic wavefunctions for cluster models of the adsorbate substrate system.

Iterative pseudo-query processing using cluster-based language models.

The electrostatic potential distribution above the Pt(100), Pt(110) and Pt(111) surfaces has been studied using finite cluster model representations of the surfaces and their ab initio Hartree-Fock electron densities.

This model predicts cost of travel using clustering algorithm.

We used a cluster model as the surface of the strained Si and normal Si, and results of our calculation indicate that, when the Si possessed strained condition, the total energy is destabilized and the value of the gap between HOMO and LUMO became smaller than that of normal Si.