Sentence examples for molecular structural parameters from inspiring English sources

It also offers physical insights represented by the quantitative molecular structural parameters such as the number of non-bonding interactions and its potential energy.

The predictive model for adsorption affinity was based on two linear relationships derived by interpreting the experimental measurements with molecular structural parameters and compensation effect: ΔH° vs. dye size and ΔS° vs. ΔH°.

The methodology assumes that electric spark sensitivity of a nitramine with general formula CaHbNcOd can be expressed as a function of its activation energy of thermal decomposition as well as optimized elemental composition and the contribution of specific molecular structural parameters.

The average molecular structural parameters, including the average polycyclic aromatic hydrocarbon size, average side chain length and average molecular weight of the oil sand asphaltene sample and its subfractions, were measured and compared, using characterisation data obtained from nuclear magnetic resonance in combination with distortionless enhancement by polarisation transfer.

The PLS analysis was performed repeatedly to eliminate redundant molecular structural parameters, as done in our previous studies (Chen et al. 2004).

PLS analysis with − logREC20 as the dependent variable and the molecular structural parameters as predictor variables resulted in the following optimal QSAR model: where n = 14, A = 3, R = 0.913, QCUM = 0.873, RMSE (training set) = 0.418, nEXT = 4, QEXT = 0.500, and RMSE (validation set) = 0.731 (p < 0.0001).

Inhibition efficiency is correlated to the molecular and structural parameters that can be obtained through theoretical calculations, such as chemical selectivity, reactivity and charge distribution [57].

The major intricacy of the biological approach that prevents the design of a conclusive shared model of behavior of mineral fibers in a biological system stems from their very nature with intrinsic variability in chemical, molecular, structural and morphometric parameters, biodurability and surface reactivity.

It is shown that the observed slope asymmetry is not material dependant, i.e. molecular weight or other structural parameters.

A Box-Behnken design was used to determine the dependence of the apparent solubility of curcumin on the operation parameter (the stirrer input power, IP) and the structural parameters (molecular weight, Mw, and degree of substitution, DS) of octenylsuccinated corn dextrin micelles.

Instead of geometric positions, structural parameters such as molecular orientation and crystallinity were correlated to the flow history of the injection-moulded iPP.