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It is used in combination of Climate Surface calculation method for predicting heating and cooling energy demand.
The molecular electrostatic potential surface calculation was performed and the result suggested that the 4-MBA had two hydrogen bond donors and three hydrogen bond acceptors.
Macros with user-friendly interfaces were developed for optimization, sensitivity analysis, uncertainty analysis, error propagation, response surface calculation, and Monte Carlo analysis.
The molecular electrostatic potential surface calculation was performed and the result suggested that the ninhydrin had two potential hydrogen bond donors and four potential hydrogen bond acceptors.
The molecular electrostatic potential surface calculation was performed and the result suggested that the 4-MPH has two hydrogen bond donors and three hydrogen bond acceptors.
Characterization of the binding pocket by a grid-based surface calculation of the docking model revealed a large unfilled hydrophobic region near the central phenyl ring, suggesting that compounds with larger hydrophobic groups in this region would improve binding.
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Volume and surface calculations should therefore be conducted carefully.
Excited states potential energy surface calculations support the existence of ESIPT process.
The higher order response surface calculations are also compared with CFD calculations for a typical offshore module and good agreement is also observed.
Preliminary observations by TEM are in agreement with expectations based on gamma surface calculations in the literature.
A model to extend the well known three step model (as proposed by Berglund and Spicer) to surface calculations is discussed in this paper.
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CEO of Professional Science Editing for Scientists @ prosciediting.com