Sentence examples for linear transit from inspiring English sources

The linear transit scans were performed on the structure shown on Fig. 2.

The total energies from the linear transit scan calculation for quinoline bound to the reductive half-reaction active site of Qor are plotted as a function of SMo HRH distance (Fig. 5).

Fig. 6 A plot for the normalized bond distance differences as a function of coordinates (CRH HRH, TS, HRH) obtained from the linear transit calculation of quinoline bound with the reductive half reaction active site of Qor.

In addition to the total energies, the Mulliken atomic charges on selected elements (CRH, HRH, Oeq, Mo, Ooxo, SMo, Sα, and Sβ) from linear transit scan calculations were tabulated (Table 1).

The stacking height dependency and catalytic activity on the catalyst sites were found by calculating the transition states and energy of barrier for the hydrogen activation via linear synchronous transit and quadratic synchronous transit (LST/QST) methods integrated in a density functional theory (DFT) program such as DMol3.

The linear synchronous transit (LST) and quadratic synchronous transit (QST) methods integrated in a density functional theory (DFT) program such as Dmol3 were used for the calculations of energy barriers of the transition states.

The reaction paths were obtained using the linear synchronous transit (LST) and optimization calculation performs a single interpolation to a maximum energy, followed by the quadratic synchronous transit (QST) method, for an energy maximum with constrained minimizations in order to refine the transition state to a high degree [25].

A log linear gastro transit model [28] was used to estimate the amount of drug available (W) in the small intestine for absorption.

A related treatment for taurultam showed that, similar to taurolidine, hydrolysis is not induced by a nucleophilic attack of O water) on C methylene) nor from the approach of H water) to N. In this case, a concerted mechanism was verified performing a linear synchronous transit search process.

Transit linear expansion coefficient of the steel strand.

Open image in new window Fig. 5 Scatters of transit linear expansion coefficient versus temperature relationship.