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Thus, the interaction lines have to be adapted to the local complex coordinates.
Additionally, intersections of interaction lines as well as intersections crossing convex hulls are detected.
In this case, flipping the upper ring system and rotating the amide group would remove the collision between interaction lines and the ligand structure diagram.
Considering the polymer concentrations between 100 and 1000 ppm, the interaction lines are obviously not parallel which indicates a considerable interaction effect.
The latter ones are responsible for the need to potentially modify the initial ligand structure diagram layout in order to provide an intersection-free arrangement of interaction lines.
The quality of the complex diagram layout results from the combination of an intersection-free interaction atom order, the convenient geometric positioning of the single structure diagrams (SD), and the consequential arrangement of interaction lines.
Similar(49)
Test conditions that do not prominently show the effects of creep-fatigue interaction, do not fall on the CFI interaction line.
The existence of a (3, −1) CP indicates that electron density is accumulated between the nuclei that are linked by the associated atomic interaction line.
The log log plot of SR versus CFI life denotes the creep-fatigue interaction line and can be used to predict CFI life for a given amount of SR occurring in the material.
A tendency to a significant interaction line * electrode * group (F [2, 28] = 2.00, p = 0.076) was observed for an analysis of the frontal and central line only.
The lack of a U=H atomic interaction line at ambient pressure confirms that the U=C10H interaction is not agostic, but the emergence of such a line, and associated BCP, at 3.2 GPa is good evidence for agosticity.
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