Articles with "isonicotinoyltrifluoroborate salts" as a keyword



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Exploring properties of potassium 6-X-2-isonicotinoyltrifluoroborate (X=H, F, Cl, Br) salts and their anions by using ab initio calculations

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Published in 2019 at "Journal of Molecular Modeling"

DOI: 10.1007/s00894-019-4234-x

Abstract: The structural, electronic, and topological properties of a series of four members of potassium 6-X-2-isonicotinoyltrifluoroborate (X=H, F, Cl, Br) salts have been explored by using ab initio calculations with the hybrid B3LYP/6-311++G** method. According to… read more here.

Keywords: using initio; potassium isonicotinoyltrifluoroborate; isonicotinoyltrifluoroborate salts; atomic radius ... See more keywords