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Density Functional Theory Study on the Adsorption of Fe(OH)2+ on Kaolinite Surface in Water Environment

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DFT study of the effect of impurity defects on the inner-layer adsorption of hydrated Al(OH)2+ on the kaolinite (0 0 1) surface
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Selective adsorption mechanism of dodecylamine on the hydrated surface of hematite and quartz
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On the Accuracy of DFT for Describing Hydrogen Bonds: Dependence on the Bond Directionality
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Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I
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Special points for Brillouin-zone integrations
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Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
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More accurate generalized gradient approximation for solids
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First principles methods using CASTEP

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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