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The polymer metal charge transfer was further investigated in terms of a first-principle calculation to discuss these experimental results.
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Kinetic data were used along with thermodynamic calculations to discuss the effect of the synthesized polymeric catalyst on the stabilization of the transition state.
After relaxing, the buckling height Δ is found to be 0.8 Å in this system, and the interlayer distance from graphene to the bottom Sn layer is 3.5 Å based on the LDA calculation (to be discussed below), indicating that it belongs to the class of vdW type of heterostructures.
Numerical calculations are performed to discuss the influences of the active control action on wave propagation properties.
In addition, First-Principle calculations were performed to discuss the photon-induced excitation in the photodissociation process.
An analytical solution is given for the special case of ideal random copolymerizations, and numerical calculations are applied to discuss non-ideal situations.
Furthermore, the data of numerical calculations are analyzed to discuss that the initial droplet temperature affects upon the final water temperature, airflow temperature and specific humidity, device efficiency.
The power calculations are used to discuss optimal choices of the phenotypes for the FBAT statistic and its power's dependence on ascertainment conditions, on study design, and on the correct specification of the distributional assumptions for the phenotypes.
During the debriefing phase, the whole class was invited to discuss the calculation made by each group before the teacher finally presented a general formula for the calculation of a menu's price.
Coughlin did not care to defend his decision or to discuss the risk/reward calculation of leaving a talented and highly paid leader in a game in which athletes sometimes are injured.
His spokesman, Tom Rubino, said the Forrester campaign considered it "crass" to discuss such political calculations during a period of mourning.
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