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Moreover, in case of the periodic calculations, we also performed hybrid (B3LYP) calculations in order to determine the effect of the hybrid functional on the band gap.
The proposed parallel digital system realizes a number of computational-heavy calculations in order to achieve real-time operation.
Thus, we decided to undertake molecular modeling calculations in order to design which suitable substituted benzyl acceptors could be used.
This design study presents the first detailed activation calculations in order to derive the diagnostic response and expected performance.
The plate has been designed according to finite element calculations in order to optimize mechanical stability and stiffness.
"The human race is constantly recording data and transforming elements of our physical surroundings into abstracted and non-physical calculations in order to gain an understanding of the world," Dorf told me.
The policy was introduced in reaction to falling property values, and councils have been told they must take account of commercial viability calculations in order to prevent schemes stalling.
While it was an important step, the scheme uses questionable calculations in order to offset the emissions abroad, and once again, fails to take into account the damaging impact of non-CO2 emissions from aircraft.
We present results from several test calculations in order to validate the numerical order of our scheme.
We perform density-functional theory calculations in order to predict their structural, mechanical, vibrational and electronic properties.
"We have long said — and the secretary has said — that it is important to change Bashar al-Assad's calculations in order to get to a political settlement," a senior State Department official told reporters Tuesday in a conference call.
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