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