Table 10 Nomenclature for sample synthesized for each formulation
From: Protein adsorption through Chitosan–Alginate membranes for potential applications
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 |