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The objectives of this paper are to describe the EASETECH framework and the calculation structure.
In determining the calculation structure, the authors considered many kinds of geometry to reflect the real morphology as much as possible.
Calculation structure requires numbers assigned to the correct sentence structure, whether an existence sentence or relational sentence according to the story type.
Then grouping model is established using Distance constrained line (DCL), by transforming DCL into the framework of velocity obstacle, the avoidance model and grouping model are successfully put into one unified calculation structure.
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Figure 7a shows the schematic view of the calculation structures.
The details of the procedures for spectral processing and analysis, signal assignment, distance restraints and hydrogen bond restraints determinations, structure calculations, structure analysis, and methods used for checking the quality of the structures are all described in the Supporting Information.
Based on numerical calculations structures best adapted to provide functionality for to the seats of resting and work furniture were identified.
Usually, molecular descriptors can be obtained in various ways, including quantum chemical calculations, molecular mechanical calculations, and structure analyses.
However, TMM is time-saving in calculation and structure optimization.
For chemical calculation and structure drawing, CDK package and Marvin Sketch applet are embedded.
Combined with density functional theory (DFT) calculation, the structure is further confirmed as Co2N5.
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