Published on 01 January 2017

.xyz files of optimised helicene dimer structures

Brandt, Jochen R.

.xyz files obtained from optimisation at the at the DFT-D3(BJ)-TPSS-D3/def2-TZVP level.

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Dataset Index

0.3

FAIR Score

13%

Citations

Mentions

DOI

Publisher

figshare

Subfield

Geometry and Topology

Field

Mathematics

Domain

Physical Sciences

Confidence Score

36%

Source

Scholar Data Model

Computational Chemistry

13.46

CTw

1.00

MTw

1.00