Articles with "au6 cluster" as a keyword



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Substituent effects on the regium-π stacking interactions between Au6 cluster and substituted benzene

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Published in 2021 at "Journal of Molecular Modeling"

DOI: 10.1007/s00894-021-04944-5

Abstract: The regium-π stacking interactions in the Au6···PhX (X = H, CH3, OH, OCH3, NH2, F, Cl, Br, CN, NO2) complexes are studied using quantum chemical methods. The present study focuses on the different effects of electron-donating and… read more here.

Keywords: stacking interactions; substituted benzene; au6 cluster; substituent effects ... See more keywords