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