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Nomenclature for sample synthesized for each formulation
| Compounds | Total energy (Hartrees) | Adsorption energy (Hartrees) |
|---|---|---|
| Cellulose | −4.0969 | – |
| Alginate/Chitosan | 1.5118 | – |
| Chem. configuration 1 | −1.6238 | −0.961 |
| Chem. configuration 2 | −1.8059 | −0.7791 |
| Physisorption | −2.7281 | 0.1431 |
