Molecular geometry of phenylboronic acid
收藏Most Wiedzy Open Research Data Catalog2026-04-17 收录
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资源简介：
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.
提供机构：
Tymon Kilich; Marta Łabuda
