Molecular geometry of hexachlorobenzene - Open Research Data - MOST Wiedzy

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Molecular geometry of hexachlorobenzene

Description

Presented data shows molecular geometry of the ground singlet state of hexachlorobenzene and hexachlorobenzene with potassium atom in 10 angstrom distance. The geometry was obtained via MP2 and CCSD calculations using balanced polarized triple-zeta def2-TZVP basis set. Geometry is provided in the XYZ file format.

Dataset file

c6cl6.zip
2.0kB, MD5 0734d1af5659e202c969e2dc1938f2db-1, downloads: 0

Details

Year of publication:
2020
Dataset language:
English
Fields of science:
  • Physical sciences (Natural sciences)
License:
CC BY-SA
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DOI:
10.34808/p6fw-kq32 open in new tab
Verified by:
Gdańsk University of Technology

Keywords

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