Molecular Hydrogen as a Proton Donor in H—H···F Hydrogen Bonds—BF4 −···(H2) n Clusters
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DOI: 10.1002/cphc.202500243
Abstract: The MP2/6‐311++G(d,p) calculations are performed to analyze geometric, energetic, and topological parameters of BF4 −···(H2) n clusters (n up to 8). These analyses are supported by the Natural Bond Orbitals method and the Quantum Theory… read more here.
Keywords: proton donor; bf4 clusters; hydrogen bonds; hydrogen proton ... See more keywords