D.SIM-250304SWA-6

samples-publish250325_D.SIM.xlsx

D.SIM-250304SWA-6

P2-G.out

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

d78aff10b67fe02a457bf23eda9e8458 

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

-728.127186313

Hartree

4.4477

eV

4.73842

eV

0

1

OPT B3LYP/6-31G* EM=GD3

6-31G*

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Created: 25th Mar 2025 at 17:30

Last updated: 25th Mar 2025 at 17:50

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