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All calculation were done using R software package.
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All calculation was done in accordance with recommendation from Applied Biosystems (User Bulletin #2).
All calculation was done using Stata 11.1 for Windows (StataCorp, Texas, USA).
Please note that all calculations were done on the MCU.
All calculations were done using SPSS10.0.
All calculations were done using the Gaussian 09 software package.
All calculations were done by the Gaussian03 package [26].
All calculations were done with MedCalc® version 10.4.8.0 (MedCalc Software, Mariakerke, Belgium).
All calculations were done on a Core2Duo CPU with 2 GHz using one core and 1 GB memory.
To compare of the results, all calculations were done first in gas phase and then in solvent phase.
All calculations were done using Matlab with step size 0.001, fixing the values (delta=5, gamma=0.5) and taking the initial conditions (X(0)=Y 0)=Z(0)=0.9).
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