The binding of calcium ion with different groups of superplasticizers studied by three DFT methods, B3LYP, M06-2X and M06

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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

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Density Functionals with Broad Applicability in Chemistry

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Continuum solvation models: A new approach to the problem of solute’s charge distribution and cavity boundaries

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Performance of M06, M06-2X, and M06-HF Density Functionals for Conformationally Flexible Anionic Clusters: M06 Functionals Perform Better than B3LYP for a Model System with Dispersion and Ionic Hydrogen-Bonding Interactions

Martin Walker, Andrew J. A. Harvey, Ananya Sen et al. · The Journal of Physical Chemistry A · 2013 · 842 citations

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