D.SIM-250304SWA-8

samples-publish250325_D.SIM.xlsx

D.SIM-250304SWA-8

P3.out

https://zenodo.org/records/14968746/files/P3.out?download=1

22144379d16d8882f6f7f6e5590be78f

Zhewen Guo

Gausssian 09

Density Functional Theory

CHM-250304SWA-10

Not specified

https://pubs.acs.org/doi/suppl/10.1021/acssensors.4c02462/suppl_file/se4c02462_si_001.pdf

-0.216255705774

Hartree

0.25158

eV

0.25352

eV

0

1

OPT PM6 G09DEFAULTS

Not specified

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Created: 25th Mar 2025 at 17:30

Last updated: 25th Mar 2025 at 17:50

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