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The electron structure calculations has been calculated by density functional theory (DFT).
Furthermore, a computer program, applying the SIMPSON integration method to the obtained temperature distributions from the heat transfer calculations, has been developed to calculate numerically the governing thermal stress distributions.
The Zipf distribution, a specific power-law function, was found to best describe the species abundance distribution of soil bacteria as calculated from DNA-DNA reassociation kinetics [11], although the mathematics used in these calculations has been contested by multiple groups [24], [25], [26], [27].
Despite its wide use, a way to quantitatively and directly relate cyclic voltammetry to ab initio calculations has been lacking.
Hezbollah's place in western strategic calculations has been complicated more recently by its role fighting Islamic State in Syria.
A series of electronic structure calculations has been performed using the DV-Xα molecular orbital method.
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His calculations had been thorough.
DFT calculations have been performed for all experimentally analyzed GNRs.
The molecular docking and molecular dynamic calculations have been studied.
Similar calculations have been made for ferromagnetic core inductor.
Calculations have been carried out using self developed simulation software.
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