D.SIM-250304SWA-3

samples-publish250325_D.SIM.xlsx

D.SIM-250304SWA-3

NDMA.out

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

abba56870c91d53b3ac5cff7b697a4b9 

Zhewen Guo

Gausssian 09

Density Functional Theory

CHM-230224SWA-18

Not specified

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

-264.478809664

Hartree

4.21183

eV

4.34341

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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