Wyniki wyszukiwania dla: benzeneboronic acid

• Molecular geometry of phenylboronic acid

  Dane Badawcze

  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.