D.SIM-250304SWA-7

samples-publish250325_D.SIM.xlsx

D.SIM-250304SWA-7

P2.out

https://zenodo.org/records/14968746/files/P2.out?download=1

a3b0ba82366ec775ecab43f2537d0c7e 

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

-0.211198693936

Hartree

0.2622

eV

0.26758

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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