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This functional describes the probability density to realize the path γ.
Considering that PBE-D2 functional describes better for lattice vectors and bond lengths of the two basal surfaces of kaolinite, following discussion on TM kaolinite, mainly depended on the results obtained by PBE-D2 functional.
An inspection of Additional file 1: Table S1A shows that this is due to the fact that this functional describes inadequately the energy of the LUMO, leading to positive values of A (with the exception of glyoxal and methylglyoxal), which are in contradiction with the (Delta SCF results.
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In this paper, variational principles have been used to obtain a functional describing coupled oscillations between a linear elastic body and a liquid of small wave heights.
The functional described by equation (15) smoothes the force field (u, v) only when the edge strength is low.
For DFT, the functionals describing strong correlations are, in general, not believed to be efficient to find [113].
We apply the method to functionals describing coarse-grained Ginzburg Landau models commonly used in pattern formation and ordering processes.
It was shown that the dynamical scaling hypothesis holds for the Minkowski functionals describing morphologies at the early stages of phase separation in thin films.
The functional specification describes the functional requirements of the design from an opaque box perspective.
Functional impairment describes the impact of psychopathology on the life of the child with respect to daily life activities [ 13].
This functional signature describes interactions with Ca2+ and Mg2+ ions (according to PDBeMotif database of protein-ligand interactions [ 39]).
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com