Results 211 to 220 of about 1,267,521 (273)
Enhanced broadband low-frequency performance of negative Poisson's ratio metamaterials with added mass. [PDF]
Liu Y+8 more
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Journal of Chemical Physics, 2010
The method of dispersion correction as an add-on to standard Kohn-Sham density functional theory (DFT-D) has been refined regarding higher accuracy, broader range of applicability, and less empiricism.
S. Grimme+3 more
semanticscholar +1 more source
The method of dispersion correction as an add-on to standard Kohn-Sham density functional theory (DFT-D) has been refined regarding higher accuracy, broader range of applicability, and less empiricism.
S. Grimme+3 more
semanticscholar +1 more source
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
Journal of Computational Chemistry, 2006A new density functional (DF) of the generalized gradient approximation (GGA) type for general chemistry applications termed B97‐D is proposed. It is based on Becke's power‐series ansatz from 1997 and is explicitly parameterized by including damped atom ...
S. Grimme
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Effect of the damping function in dispersion corrected density functional theory
Journal of Computational Chemistry, 2011It is shown by an extensive benchmark on molecular energy data that the mathematical form of the damping function in DFT‐D methods has only a minor impact on the quality of the results.
S. Grimme, S. Ehrlich, L. Goerigk
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Dispersion of soluble matter in solvent flowing slowly through a tube
Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences, 1953When a soluble substance is introduced into a fluid flowing slowly through a small-bore tube it spreads out under the combined action of molecular diffusion and the variation of velocity over the cross-section.
G. Taylor
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Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences, 1953
Any topological framework requires the development of a theory of errors of characteristic and appropriate mathematical form. The paper develops a form of theory which appears to be appropriate to measurements of position on a sphere.
R. Fisher
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Any topological framework requires the development of a theory of errors of characteristic and appropriate mathematical form. The paper develops a form of theory which appears to be appropriate to measurements of position on a sphere.
R. Fisher
semanticscholar +1 more source