Search results for: benzeneboronic acid - Bridge of Knowledge

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Molecular geometry of phenylboronic acid
Open Research Data
open access
- T. Kilich
- M. Łabuda
Data presents molecular geometry of the ground singlet state of phenylboronic acid. The geometry was obtained via DFT calculations using Becke–Lee–Yang–Parr density functional (B3LYP) with the balanced polarized triple-zeta def2-TZVP basis set. Geometry is provided in the XYZ file format.