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MAIK Nauka/Interperiodica

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Ab initio DFT study of 6-mercapto-hexane SAMs: effect of Au surface defects on the monolayer assembly

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van der Waals potential barrier for cobaltocene encapsulation into single-walled carbon nanotubes: classical molecular dynamics and ab initio study

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Ab initio predictions of structural and elastic properties of struvite: contribution to urinary stone research

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