Kamal Sharkas researcher ORCID ID = 0000-0002-6809-8185
Sharkas, Kamal, 1981-....
VIAF ID: 310753423 ( Personal )
Permalink: http://viaf.org/viaf/310753423
Preferred Forms
4xx's: Alternate Name Forms (1)
Works
Title | Sources |
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Calculating NMR Chemical Shifts for Paramagnetic Metal Complexes from First-Principles. |
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Développement de nouvelles méthodes hybrides en théorie de la fonctionnelle de la densité par séparation linéaire de l’interaction électronique |
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The effect of self-interaction error on electrostatic dipoles calculated using density functional theory |
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Effects from Spin–Orbit Coupling on Electron–Nucleus Hyperfine Coupling Calculated at the Restricted Active Space Level for Kramers Doublets |
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Multiconfiguration Pair-Density Functional Theory and Complete Active Space Second Order Perturbation Theory. Bond Dissociation Energies of FeC, NiC, FeS, NiS, FeSe, and NiSe. |
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Range-separated double-hybrid density-functional theory applied to periodic systems |
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Self-interaction error overbinds water clusters but cancels in structural energy differences |
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Shrinking Self-Interaction Errors with the Fermi-Löwdin Orbital Self-Interaction Corrected Density Functional Approximation |
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