Adsorption of catechol on a wet silica surface: density functional theory study

Special points for Brillouin-zone integrations

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Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

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The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

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Efficient pseudopotentials for plane-wave calculations

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