Molecular geometry of phenylboronic acid - Open Research Data - Bridge of Knowledge

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Molecular geometry of phenylboronic acid

Description

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.

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Dataset file

pba.zip
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File details

License:
Creative Commons: by 4.0 open in new tab
CC BY
Attribution

Details

Year of publication:
2020
Verification date:
2020-12-28
Dataset language:
English
Fields of science:
  • physical sciences (Natural sciences)
  • chemical sciences (Natural sciences)
DOI:
DOI ID 10.34808/4xdm-da52 open in new tab
Verified by:
Gdańsk University of Technology

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